N-(2-chloranyl-4,6-dimethyl-phenyl)-3-oxidanylidene-piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-3-oxidanylidene-piperazine-1-carbothioamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-3-oxo-piperazine-1-carbothioamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-3-oxo-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-3-oxopiperazine-1-carbothioamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-3-keto-piperazine-1-carbothioamide Formula: C13H16ClN3OS MolecularWeight: 297.80364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CCNC(=O)C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CCNC(=O)C2)C

InChI

InChI=1S/C13H16ClN3OS/c1-8-5-9(2)12(10(14)6-8)16-13(19)17-4-3-15-11(18)7-17/h5-6H,3-4,7H2,1-2H3,(H,15,18)(H,16,19)