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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)C2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)C2=C(C=CC(=C2)Cl)C

InChI

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