3-[4-(4-pyridin-3-ylthiophen-2-yl)carbonylpiperazin-1-yl]benzenecarboximidamide

Systemtic Name: 3-[4-(4-pyridin-3-ylthiophen-2-yl)carbonylpiperazin-1-yl]benzenecarboximidamide Openeye Name: 3-[4-[4-(3-pyridyl)thiophene-2-carbonyl]piperazin-1-yl]benzamidine CAS Name: 3-[4-[oxo-[4-(3-pyridinyl)-2-thiophenyl]methyl]-1-piperazinyl]benzenecarboximidamide IUPAC Name: 3-[4-(4-pyridin-3-ylthiophene-2-carbonyl)piperazin-1-yl]benzenecarboximidamide Traditional Name: 3-[4-[4-(3-pyridyl)thiophene-2-carbonyl]piperazino]benzamidine Formula: C21H21N5OS MolecularWeight: 391.48934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(=N)N)C(=O)C3=CC(=CS3)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(=N)N)C(=O)C3=CC(=CS3)C4=CN=CC=C4

InChI

InChI=1S/C21H21N5OS/c22-20(23)15-3-1-5-18(11-15)25-7-9-26(10-8-25)21(27)19-12-17(14-28-19)16-4-2-6-24-13-16/h1-6,11-14H,7-10H2,(H3,22,23)