N-[(1S)-2-[(3aS,6S,6aR)-3-oxidanylidene-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxidanylidene-ethyl]-4-[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]piperazin-1-yl]benzamide

Systemtic Name: N-[(1S)-2-[(3aS,6S,6aR)-3-oxidanylidene-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxidanylidene-ethyl]-4-[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]piperazin-1-yl]benzamide Openeye Name: N-[(1S)-2-[(3aS,6S,6aR)-6-isopropyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxo-ethyl]-4-[4-[2-(4-methylpiperazin-1-yl)thiazol-4-yl]piperazin-1-yl]benzamide CAS Name: N-[(1S)-2-[(3aS,6S,6aR)-3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-[4-[2-(4-methyl-1-piperazinyl)-4-thiazolyl]-1-piperazinyl]benzamide IUPAC Name: N-[(1S)-2-[(3aS,6S,6aR)-3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]piperazin-1-yl]benzamide Traditional Name: N-[(1S)-2-[(3aS,6S,6aR)-6-isopropyl-3-keto-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-keto-ethyl]-4-[4-[2-(4-methylpiperazino)thiazol-4-yl]piperazino]benzamide Formula: C35H49N7O4S MolecularWeight: 663.87306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(C2C1OCC2=O)C(=O)C(C3CCCC3)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C6=CSC(=N6)N7CCN(CC7)C

Isomeric SMILES

CC(C)[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@H](C3CCCC3)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C6=CSC(=N6)N7CCN(CC7)C

InChI

InChI=1S/C35H49N7O4S/c1-23(2)27-20-42(31-28(43)21-46-32(27)31)34(45)30(24-6-4-5-7-24)37-33(44)25-8-10-26(11-9-25)39-16-18-40(19-17-39)29-22-47-35(36-29)41-14-12-38(3)13-15-41/h8-11,22-24,27,30-32H,4-7,12-21H2,1-3H3,(H,37,44)/t27-,30+,31-,32-/m1/s1