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

Systemtic Name: N-[3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H27N3O2S/c1-19-8-10-20(11-9-19)18-27-12-4-13-28(15-14-27)25(30)21-5-2-6-22(17-21)26-24(29)23-7-3-16-31-23/h2-3,5-11,16-17H,4,12-15,18H2,1H3,(H,26,29)