[4-(3-chlorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanethione

Systemtic Name: [4-(3-chlorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanethione Openeye Name: [4-(3-chlorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanethione CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-(2,4,5-trimethoxyphenyl)methanethione IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanethione Traditional Name: asaryl-[4-(3-chlorophenyl)piperazino]methanethione Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl)OC)OC

InChI

InChI=1S/C20H23ClN2O3S/c1-24-17-13-19(26-3)18(25-2)12-16(17)20(27)23-9-7-22(8-10-23)15-6-4-5-14(21)11-15/h4-6,11-13H,7-10H2,1-3H3