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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C22H28ClN3S/c1-3-4-5-18-7-10-20(11-8-18)24-22(27)26-14-12-25(13-15-26)21-16-19(23)9-6-17(21)2/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,27)