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

Systemtic Name: N-(4-butan-2-ylphenyl)-4-(5-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-2-methyl-phenyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butan-2-ylphenyl)-4-(5-chloro-2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-(5-chloro-2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-2-methyl-phenyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide Formula: C22H28ClN3S MolecularWeight: 401.99582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C22H28ClN3S/c1-4-16(2)18-6-9-20(10-7-18)24-22(27)26-13-11-25(12-14-26)21-15-19(23)8-5-17(21)3/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,27)