3-(2-chlorophenyl)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]propanamide

Systemtic Name: 3-(2-chlorophenyl)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[(pyridine-4-carbonylamino)carbamothioyl]propanamide Traditional Name: 3-(2-chlorophenyl)-N-(isonicotinamidothiocarbamoyl)propionamide Formula: C16H15ClN4O2S MolecularWeight: 362.8339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC(=O)NC(=S)NNC(=O)C2=CC=NC=C2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CCC(=O)NC(=S)NNC(=O)C2=CC=NC=C2)Cl

InChI

InChI=1S/C16H15ClN4O2S/c17-13-4-2-1-3-11(13)5-6-14(22)19-16(24)21-20-15(23)12-7-9-18-10-8-12/h1-4,7-10H,5-6H2,(H,20,23)(H2,19,21,22,24)