(phenylmethyl) N-[1-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1-oxidanyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1-oxidanyl-propan-2-yl]carbamate Openeye Name: benzyl N-[2-[5-(azepan-1-ylmethyl)-2-thienyl]-2-hydroxy-1-methyl-ethyl]carbamate CAS Name: N-[1-[5-(1-azepanylmethyl)-2-thiophenyl]-1-hydroxypropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1-hydroxypropan-2-yl]carbamate Traditional Name: N-[2-[5-(azepan-1-ylmethyl)-2-thienyl]-2-hydroxy-1-methyl-ethyl]carbamic acid benzyl ester Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(S1)CN2CCCCCC2)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(C1=CC=C(S1)CN2CCCCCC2)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O3S/c1-17(23-22(26)27-16-18-9-5-4-6-10-18)21(25)20-12-11-19(28-20)15-24-13-7-2-3-8-14-24/h4-6,9-12,17,21,25H,2-3,7-8,13-16H2,1H3,(H,23,26)