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

Systemtic Name: N-[3-methyl-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-methyl-1-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]propyl]thiophene-2-carboxamide CAS Name: N-[3-methyl-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-methyl-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-methyl-1-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]propyl]thiophene-2-carboxamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S/c1-17(2)21(24-22(27)20-6-4-15-29-20)23(28)26-12-5-11-25(13-14-26)16-19-9-7-18(3)8-10-19/h4,6-10,15,17,21H,5,11-14,16H2,1-3H3,(H,24,27)