2-[4-(3-ethoxythiophen-2-yl)carbonyl-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(3-ethoxythiophen-2-yl)carbonyl-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(3-ethoxythiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[(3-ethoxy-2-thiophenyl)-oxomethyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(3-ethoxythiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(3-ethoxythiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC=C1)C(=O)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(SC=C1)C(=O)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-2-27-18-9-14-28-20(18)21(26)24-11-6-10-23(12-13-24)16-19(25)22-15-17-7-4-3-5-8-17/h3-5,7-9,14H,2,6,10-13,15-16H2,1H3,(H,22,25)