N-(3-chloranyl-4-methyl-phenyl)-3-oxidanylidene-piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-oxidanylidene-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-oxo-piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-3-oxo-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-oxopiperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-keto-piperazine-1-carbothioamide Formula: C12H14ClN3OS MolecularWeight: 283.77706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3OS/c1-8-2-3-9(6-10(8)13)15-12(18)16-5-4-14-11(17)7-16/h2-3,6H,4-5,7H2,1H3,(H,14,17)(H,15,18)