N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]thiophene-3-carboxamide

Systemtic Name: N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]thiophene-3-carboxamide Openeye Name: N-[3-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]-3-oxo-propyl]thiophene-3-carboxamide CAS Name: N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-3-thiophenecarboxamide IUPAC Name: N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]thiophene-3-carboxamide Traditional Name: N-[3-keto-3-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]propyl]thiophene-3-carboxamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CCNC(=O)C3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CCNC(=O)C3=CSC=C3

InChI

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