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

Systemtic Name: N-[2-[4-(4-methylpiperazin-1-yl)butoxy]-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylcarbonyl)phenyl]-2-phenyl-benzamide Openeye Name: N-[2-[4-(4-methylpiperazin-1-yl)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-piperazinyl)butoxy]-4-[oxo(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methyl]phenyl]-2-phenylbenzamide IUPAC Name: N-[2-[4-(4-methylpiperazin-1-yl)butoxy]-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]-2-phenylbenzamide Traditional Name: N-[2-[4-(4-methylpiperazino)butoxy]-4-(5,6,7,8-tetrahydrothien[3,2-b]azepine-4-carbonyl)phenyl]-2-phenyl-benzamide Formula: C37H42N4O3S MolecularWeight: 622.81938

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCOC2=C(C=CC(=C2)C(=O)N3CCCCC4=C3C=CS4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6

Isomeric SMILES

CN1CCN(CC1)CCCCOC2=C(C=CC(=C2)C(=O)N3CCCCC4=C3C=CS4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6

InChI

InChI=1S/C37H42N4O3S/c1-39-21-23-40(24-22-39)19-9-10-25-44-34-27-29(37(43)41-20-8-7-15-35-33(41)18-26-45-35)16-17-32(34)38-36(42)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,16-18,26-27H,7-10,15,19-25H2,1H3,(H,38,42)