N-(4-butan-2-ylphenyl)-4-(3,4-dichlorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butan-2-ylphenyl)-4-(3,4-dichlorophenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,4-dichlorophenyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butan-2-ylphenyl)-4-(3,4-dichlorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-(3,4-dichlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,4-dichlorophenyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide Formula: C21H25Cl2N3S MolecularWeight: 422.4143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25Cl2N3S/c1-3-15(2)16-4-6-17(7-5-16)24-21(27)26-12-10-25(11-13-26)18-8-9-19(22)20(23)14-18/h4-9,14-15H,3,10-13H2,1-2H3,(H,24,27)