N-(3,5-dimethylphenyl)-3-oxidanylidene-piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-3-oxidanylidene-piperazine-1-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-3-oxo-piperazine-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-3-oxo-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-3-oxopiperazine-1-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-3-keto-piperazine-1-carbothioamide Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3OS/c1-9-5-10(2)7-11(6-9)15-13(18)16-4-3-14-12(17)8-16/h5-7H,3-4,8H2,1-2H3,(H,14,17)(H,15,18)