2-[(2-chlorophenyl)carbamothioylamino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-[(2-chlorophenyl)carbamothioylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[(2-chlorophenyl)carbamothioylamino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[(2-chloroanilino)-sulfanylidenemethyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[(2-chlorophenyl)carbamothioylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[(2-chlorophenyl)thiocarbamoylamino]-N-(3-pyridylmethyl)benzamide Formula: C20H17ClN4OS MolecularWeight: 396.89318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CN=CC=C2)NC(=S)NC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CN=CC=C2)NC(=S)NC3=CC=CC=C3Cl

InChI

InChI=1S/C20H17ClN4OS/c21-16-8-2-4-10-18(16)25-20(27)24-17-9-3-1-7-15(17)19(26)23-13-14-6-5-11-22-12-14/h1-12H,13H2,(H,23,26)(H2,24,25,27)