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

Systemtic Name: (phenylmethyl) N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamate Openeye Name: benzyl N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamate CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamate Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-thenoyl)piperazino]phenyl]carbamic acid benzyl ester Formula: C29H33N5O4S MolecularWeight: 547.66842

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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)OCC5=CC=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H33N5O4S/c35-27(33-13-5-11-30-12-14-33)23-9-10-25(24(20-23)31-29(37)38-21-22-6-2-1-3-7-22)32-15-17-34(18-16-32)28(36)26-8-4-19-39-26/h1-4,6-10,19-20,30H,5,11-18,21H2,(H,31,37)