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

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-4-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(3-chloro-4-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-4-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-methyl-phenyl)piperazine-1-carbothioamide Formula: C12H16ClN3S MolecularWeight: 269.79354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)C(=S)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)C(=S)N)Cl

InChI

InChI=1S/C12H16ClN3S/c1-9-2-3-10(8-11(9)13)15-4-6-16(7-5-15)12(14)17/h2-3,8H,4-7H2,1H3,(H2,14,17)