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

Systemtic Name: 3-phenyl-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]propanamide Openeye Name: 3-phenyl-N-[(pyridine-4-carbonylamino)carbamothioyl]propanamide CAS Name: N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: 3-phenyl-N-[(pyridine-4-carbonylamino)carbamothioyl]propanamide Traditional Name: N-(isonicotinamidothiocarbamoyl)-3-phenyl-propionamide Formula: C16H16N4O2S MolecularWeight: 328.38884

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2S/c21-14(7-6-12-4-2-1-3-5-12)18-16(23)20-19-15(22)13-8-10-17-11-9-13/h1-5,8-11H,6-7H2,(H,19,22)(H2,18,20,21,23)