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

Systemtic Name: N-[4-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-keto-4-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]butyl]thiophene-2-carboxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CCCNC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CCCNC(=O)C3=CC=CS3

InChI

InChI=1S/C22H29N3O2S/c1-18-7-2-3-8-19(18)17-24-12-6-13-25(15-14-24)21(26)10-4-11-23-22(27)20-9-5-16-28-20/h2-3,5,7-9,16H,4,6,10-15,17H2,1H3,(H,23,27)