N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-2-phenyl-ethanamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-2-phenyl-ethanamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-2-phenyl-acetamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-2-phenylacetamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-2-phenylacetamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-thenoyl)piperazino]phenyl]-2-phenyl-acetamide Formula: C29H33N5O3S MolecularWeight: 531.66902

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C29H33N5O3S/c35-27(20-22-6-2-1-3-7-22)31-24-21-23(28(36)33-13-5-11-30-12-14-33)9-10-25(24)32-15-17-34(18-16-32)29(37)26-8-4-19-38-26/h1-4,6-10,19,21,30H,5,11-18,20H2,(H,31,35)