N-[1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[1-methyl-2-oxo-2-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-keto-1-methyl-2-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]ethyl]thiophene-2-carboxamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C(C)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C(C)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c1-16-6-8-18(9-7-16)15-23-10-4-11-24(13-12-23)21(26)17(2)22-20(25)19-5-3-14-27-19/h3,5-9,14,17H,4,10-13,15H2,1-2H3,(H,22,25)