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

Systemtic Name: N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chlorophenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]thiophene-2-carboxamide Formula: C23H21ClN4O2S MolecularWeight: 452.95644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN4O2S/c24-20-9-8-19(27-22(29)21-3-1-12-31-21)13-18(20)15-28(11-2-10-25)23(30)17-6-4-16(14-26)5-7-17/h1,3-9,12-13H,2,10-11,15,25H2,(H,27,29)