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

Systemtic Name: 2-[4-(3-methylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[(3-methyl-2-thiophenyl)-oxomethyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S/c1-16-8-13-26-19(16)20(25)23-10-5-9-22(11-12-23)15-18(24)21-14-17-6-3-2-4-7-17/h2-4,6-8,13H,5,9-12,14-15H2,1H3,(H,21,24)