3-methyl-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]butanamide Openeye Name: 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide CAS Name: 3-methyl-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide Traditional Name: N-(isonicotinamidothiocarbamoyl)-3-methyl-butyramide Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O2S/c1-8(2)7-10(17)14-12(19)16-15-11(18)9-3-5-13-6-4-9/h3-6,8H,7H2,1-2H3,(H,15,18)(H2,14,16,17,19)