4-(1,2-benzothiazol-3-yl)-N-(2-chloranyl-3-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,2-benzothiazol-3-yl)-N-(2-chloranyl-3-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,2-benzothiazol-3-yl)-N-(2-chloro-3-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(1,2-benzothiazol-3-yl)-N-(2-chloro-3-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,2-benzothiazol-3-yl)-N-(2-chloro-3-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(1,2-benzothiazol-3-yl)-N-(2-chloro-3-methyl-phenyl)piperazine-1-carbothioamide Formula: C19H19ClN4S2 MolecularWeight: 402.96396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43)Cl

InChI

InChI=1S/C19H19ClN4S2/c1-13-5-4-7-15(17(13)20)21-19(25)24-11-9-23(10-12-24)18-14-6-2-3-8-16(14)26-22-18/h2-8H,9-12H2,1H3,(H,21,25)