(3aS,6aR)-4-[5-[4-[4-[4-(6-imidazol-1-ylpyridin-3-yl)carbonylphenyl]phenyl]sulfonylpiperazin-1-yl]-5-oxidanylidene-pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one

Systemtic Name: (3aS,6aR)-4-[5-[4-[4-[4-(6-imidazol-1-ylpyridin-3-yl)carbonylphenyl]phenyl]sulfonylpiperazin-1-yl]-5-oxidanylidene-pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one Openeye Name: (3aS,6aR)-4-[5-[4-[4-[4-(6-imidazol-1-ylpyridine-3-carbonyl)phenyl]phenyl]sulfonylpiperazin-1-yl]-5-oxo-pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one CAS Name: (3aS,6aR)-4-[5-[4-[4-[4-[[6-(1-imidazolyl)-3-pyridinyl]-oxomethyl]phenyl]phenyl]sulfonyl-1-piperazinyl]-5-oxopentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one IUPAC Name: (3aS,6aR)-4-[5-[4-[4-[4-(6-imidazol-1-ylpyridine-3-carbonyl)phenyl]phenyl]sulfonylpiperazin-1-yl]-5-oxopentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one Traditional Name: (3aS,6aR)-4-[5-[4-[4-[4-(6-imidazol-1-ylnicotinoyl)phenyl]phenyl]sulfonylpiperazino]-5-keto-pentyl]-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-2-one Formula: C35H37N7O5S2 MolecularWeight: 699.84218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCCC2C3C(CS2)NC(=O)N3)S(=O)(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)C6=CN=C(C=C6)N7C=CN=C7

Isomeric SMILES

C1CN(CCN1C(=O)CCCCC2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)C6=CN=C(C=C6)N7C=CN=C7

InChI

InChI=1S/C35H37N7O5S2/c43-32(4-2-1-3-30-33-29(22-48-30)38-35(45)39-33)40-17-19-42(20-18-40)49(46,47)28-12-9-25(10-13-28)24-5-7-26(8-6-24)34(44)27-11-14-31(37-21-27)41-16-15-36-23-41/h5-16,21,23,29-30,33H,1-4,17-20,22H2,(H2,38,39,45)/t29-,30?,33-/m0/s1