2-[[2-(3-methylphenyl)imino-3-[(2R)-1-oxidanylidene-3-phenyl-1-piperazin-1-yl-propan-2-yl]-1,3-thiazol-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-(3-methylphenyl)imino-3-[(2R)-1-oxidanylidene-3-phenyl-1-piperazin-1-yl-propan-2-yl]-1,3-thiazol-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-[(1R)-1-benzyl-2-oxo-2-piperazin-1-yl-ethyl]-2-(m-tolylimino)thiazol-4-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(3-methylphenyl)imino-3-[(2R)-1-oxo-3-phenyl-1-(1-piperazinyl)propan-2-yl]-4-thiazolyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(3-methylphenyl)imino-3-[(2R)-1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl]-1,3-thiazol-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[3-[(1R)-1-benzyl-2-keto-2-piperazino-ethyl]-2-(m-tolylimino)-4-thiazolin-4-yl]methyl]isoindoline-1,3-quinone Formula: C32H31N5O3S MolecularWeight: 565.68524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C2N(C(=CS2)CN3C(=O)C4=CC=CC=C4C3=O)C(CC5=CC=CC=C5)C(=O)N6CCNCC6

Isomeric SMILES

CC1=CC(=CC=C1)N=C2N(C(=CS2)CN3C(=O)C4=CC=CC=C4C3=O)[C@H](CC5=CC=CC=C5)C(=O)N6CCNCC6

InChI

InChI=1S/C32H31N5O3S/c1-22-8-7-11-24(18-22)34-32-37(25(21-41-32)20-36-29(38)26-12-5-6-13-27(26)30(36)39)28(19-23-9-3-2-4-10-23)31(40)35-16-14-33-15-17-35/h2-13,18,21,28,33H,14-17,19-20H2,1H3/t28-/m1/s1