2-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-N-[[2-methyl-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylcarbonyl)phenyl]methyl]-3-sulfanylidene-pyrrolidine-1-carboxamide

Systemtic Name: 2-[(4-methyl-1,4-diazepan-1-yl)carbonyl]-N-[[2-methyl-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylcarbonyl)phenyl]methyl]-3-sulfanylidene-pyrrolidine-1-carboxamide Openeye Name: 2-(4-methyl-1,4-diazepane-1-carbonyl)-N-[[2-methyl-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]methyl]-3-thioxo-pyrrolidine-1-carboxamide CAS Name: 2-[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]-N-[[2-methyl-4-[oxo(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methyl]phenyl]methyl]-3-sulfanylidene-1-pyrrolidinecarboxamide IUPAC Name: 2-(4-methyl-1,4-diazepane-1-carbonyl)-N-[[2-methyl-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]methyl]-3-sulfanylidenepyrrolidine-1-carboxamide Traditional Name: 2-(4-methyl-1,4-diazepane-1-carbonyl)-N-[2-methyl-4-(5,6,7,8-tetrahydrothien[3,2-b]azepine-4-carbonyl)benzyl]-3-thioxo-pyrrolidine-1-carboxamide Formula: C29H37N5O3S2 MolecularWeight: 567.76578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCCC3=C2C=CS3)CNC(=O)N4CCC(=S)C4C(=O)N5CCCN(CC5)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCCC3=C2C=CS3)CNC(=O)N4CCC(=S)C4C(=O)N5CCCN(CC5)C

InChI

InChI=1S/C29H37N5O3S2/c1-20-18-21(27(35)33-13-4-3-6-25-23(33)10-17-39-25)7-8-22(20)19-30-29(37)34-14-9-24(38)26(34)28(36)32-12-5-11-31(2)15-16-32/h7-8,10,17-18,26H,3-6,9,11-16,19H2,1-2H3,(H,30,37)