N-[[(2-chlorophenyl)carbonylamino]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[(2-chlorophenyl)carbonylamino]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[(2-chlorobenzoyl)amino]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[(2-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[(2-chlorobenzoyl)amino]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[(2-chlorobenzoyl)amino]thiocarbamoyl]-3-methyl-butyramide Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NNC(=O)C1=CC=CC=C1Cl

Isomeric SMILES

CC(C)CC(=O)NC(=S)NNC(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C13H16ClN3O2S/c1-8(2)7-11(18)15-13(20)17-16-12(19)9-5-3-4-6-10(9)14/h3-6,8H,7H2,1-2H3,(H,16,19)(H2,15,17,18,20)