4-(3-chlorophenyl)-N-(2,6-diethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-chlorophenyl)-N-(2,6-diethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chlorophenyl)-N-(2,6-diethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(3-chlorophenyl)-N-(2,6-diethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chlorophenyl)-N-(2,6-diethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chlorophenyl)-N-(2,6-diethylphenyl)piperazine-1-carbothioamide Formula: C21H26ClN3S MolecularWeight: 387.96924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3S/c1-3-16-7-5-8-17(4-2)20(16)23-21(26)25-13-11-24(12-14-25)19-10-6-9-18(22)15-19/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,26)