N-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1-thiophen-2-yl-propyl]ethanamide

Systemtic Name: N-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1-thiophen-2-yl-propyl]ethanamide Openeye Name: N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxo-1-(2-thienyl)propyl]acetamide CAS Name: N-[3-oxo-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1-thiophen-2-ylpropyl]acetamide IUPAC Name: N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide Traditional Name: N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-keto-1-(2-thienyl)propyl]acetamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N1CCCN(CC1)CC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)N1CCCN(CC1)CC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c1-17(25)22-19(20-9-5-14-27-20)15-21(26)24-11-6-10-23(12-13-24)16-18-7-3-2-4-8-18/h2-5,7-9,14,19H,6,10-13,15-16H2,1H3,(H,22,25)