N-(4-butylphenyl)-4-(3,4-dichlorophenyl)piperazine-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25Cl2N3S/c1-2-3-4-16-5-7-17(8-6-16)24-21(27)26-13-11-25(12-14-26)18-9-10-19(22)20(23)15-18/h5-10,15H,2-4,11-14H2,1H3,(H,24,27)