2-chloranyl-N-[4-(propanoylcarbamothioylamino)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-chloranyl-N-[4-(propanoylcarbamothioylamino)phenyl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-[4-(propanoylcarbamothioylamino)phenyl]pyridine-3-carboxamide CAS Name: 2-chloro-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[4-(propanoylcarbamothioylamino)phenyl]pyridine-3-carboxamide Traditional Name: 2-chloro-N-[4-(propionylthiocarbamoylamino)phenyl]nicotinamide Formula: C16H15ClN4O2S MolecularWeight: 362.8339

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C16H15ClN4O2S/c1-2-13(22)21-16(24)20-11-7-5-10(6-8-11)19-15(23)12-4-3-9-18-14(12)17/h3-9H,2H2,1H3,(H,19,23)(H2,20,21,22,24)