N-[2-[4-(4-methyl-1,4-diazepan-1-yl)-4-oxidanylidene-butoxy]-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylcarbonyl)phenyl]-2-phenyl-benzamide

Systemtic Name: N-[2-[4-(4-methyl-1,4-diazepan-1-yl)-4-oxidanylidene-butoxy]-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylcarbonyl)phenyl]-2-phenyl-benzamide Openeye Name: N-[2-[4-(4-methyl-1,4-diazepan-1-yl)-4-oxo-butoxy]-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]-2-phenyl-benzamide CAS Name: N-[2-[4-(4-methyl-1,4-diazepan-1-yl)-4-oxobutoxy]-4-[oxo(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methyl]phenyl]-2-phenylbenzamide IUPAC Name: N-[2-[4-(4-methyl-1,4-diazepan-1-yl)-4-oxobutoxy]-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]-2-phenylbenzamide Traditional Name: N-[2-[4-keto-4-(4-methyl-1,4-diazepan-1-yl)butoxy]-4-(5,6,7,8-tetrahydrothien[3,2-b]azepine-4-carbonyl)phenyl]-2-phenyl-benzamide Formula: C38H42N4O4S MolecularWeight: 650.82948

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)CCCOC2=C(C=CC(=C2)C(=O)N3CCCCC4=C3C=CS4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6

Isomeric SMILES

CN1CCCN(CC1)C(=O)CCCOC2=C(C=CC(=C2)C(=O)N3CCCCC4=C3C=CS4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6

InChI

InChI=1S/C38H42N4O4S/c1-40-20-10-21-41(24-23-40)36(43)16-9-25-46-34-27-29(38(45)42-22-8-7-15-35-33(42)19-26-47-35)17-18-32(34)39-37(44)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,17-19,26-27H,7-10,15-16,20-25H2,1H3,(H,39,44)