N-[2-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN(CCCN)C(=O)C2=CC=C(C=C2)C#N)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C(=C1)CN(CCCN)C(=O)C2=CC=C(C=C2)C#N)NC(=O)C3=CC=CS3

InChI

InChI=1S/C23H22N4O2S/c24-12-4-13-27(23(29)18-10-8-17(15-25)9-11-18)16-19-5-1-2-6-20(19)26-22(28)21-7-3-14-30-21/h1-3,5-11,14H,4,12-13,16,24H2,(H,26,28)