N-butan-2-yl-4-(5-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: N-butan-2-yl-4-(5-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-2-methyl-phenyl)-N-sec-butyl-piperazine-1-carbothioamide CAS Name: N-butan-2-yl-4-(5-chloro-2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-butan-2-yl-4-(5-chloro-2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-2-methyl-phenyl)-N-sec-butyl-piperazine-1-carbothioamide Formula: C16H24ClN3S MolecularWeight: 325.89986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)N1CCN(CC1)C2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCC(C)NC(=S)N1CCN(CC1)C2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C16H24ClN3S/c1-4-13(3)18-16(21)20-9-7-19(8-10-20)15-11-14(17)6-5-12(15)2/h5-6,11,13H,4,7-10H2,1-3H3,(H,18,21)