N-[5-[[4-[(3-methylphenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]thiophen-2-yl]ethanamide

Systemtic Name: N-[5-[[4-[(3-methylphenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]thiophen-2-yl]ethanamide Openeye Name: N-[5-[[4-(m-tolylmethyl)-5-oxo-1,4-diazepan-1-yl]methyl]-2-thienyl]acetamide CAS Name: N-[5-[[4-[(3-methylphenyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]-2-thiophenyl]acetamide IUPAC Name: N-[5-[[4-[(3-methylphenyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]thiophen-2-yl]acetamide Traditional Name: N-[5-[[5-keto-4-(3-methylbenzyl)-1,4-diazepan-1-yl]methyl]-2-thienyl]acetamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CCC2=O)CC3=CC=C(S3)NC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CCC2=O)CC3=CC=C(S3)NC(=O)C

InChI

InChI=1S/C20H25N3O2S/c1-15-4-3-5-17(12-15)13-23-11-10-22(9-8-20(23)25)14-18-6-7-19(26-18)21-16(2)24/h3-7,12H,8-11,13-14H2,1-2H3,(H,21,24)