N-[2-(4-chlorophenyl)ethyl]-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-4-(2,4-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCCC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCCC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C21H26ClN3O2S/c1-26-18-7-8-19(20(15-18)27-2)24-11-13-25(14-12-24)21(28)23-10-9-16-3-5-17(22)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,23,28)