(phenylmethyl) N-[1-oxidanylidene-3-phenyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-oxidanylidene-3-phenyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]carbamate Openeye Name: benzyl N-[1-benzyl-2-oxo-2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethyl]carbamate CAS Name: N-[1-oxo-3-phenyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-oxo-3-phenyl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-keto-2-[4-(2-thenyl)-1,4-diazepan-1-yl]ethyl]carbamic acid benzyl ester Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C27H31N3O3S/c31-26(30-15-8-14-29(16-17-30)20-24-13-7-18-34-24)25(19-22-9-3-1-4-10-22)28-27(32)33-21-23-11-5-2-6-12-23/h1-7,9-13,18,25H,8,14-17,19-21H2,(H,28,32)