(phenylmethyl) N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]carbamate Openeye Name: benzyl N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]carbamate CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]carbamate Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]carbamic acid benzyl ester Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)OCC2=CC=CC=C2)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)OCC2=CC=CC=C2)C3=CSC=C3

InChI

InChI=1S/C20H26N2O2S/c23-20(24-15-17-8-4-3-5-9-17)21-14-19(18-10-13-25-16-18)22-11-6-1-2-7-12-22/h3-5,8-10,13,16,19H,1-2,6-7,11-12,14-15H2,(H,21,23)