N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[[2-(4-chlorophenyl)acetyl]amino]thiocarbamoyl]-3-methyl-butyramide Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NNC(=O)CC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)CC(=O)NC(=S)NNC(=O)CC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H18ClN3O2S/c1-9(2)7-12(19)16-14(21)18-17-13(20)8-10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,17,20)(H2,16,18,19,21)