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

Systemtic Name: N-[4-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[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=CSC(=C1)C(=O)NC2=CC=C(C=C2)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

InChI

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