(4-pyridin-3-ylcarbothioylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone hydrochloride

Systemtic Name: (4-pyridin-3-ylcarbothioylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone hydrochloride Openeye Name: [4-(pyridine-3-carbothioyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone hydrochloride CAS Name: [4-[3-pyridinyl(sulfanylidene)methyl]-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone hydrochloride IUPAC Name: [4-(pyridine-3-carbothioyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone hydrochloride Traditional Name: [4-(pyridine-3-carbothioyl)piperazino]-(3,4,5-trimethoxyphenyl)methanone hydrochloride Formula: C20H24ClN3O4S MolecularWeight: 437.94026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=S)C3=CN=CC=C3.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=S)C3=CN=CC=C3.Cl

InChI

InChI=1S/C20H23N3O4S.ClH/c1-25-16-11-15(12-17(26-2)18(16)27-3)19(24)22-7-9-23(10-8-22)20(28)14-5-4-6-21-13-14;/h4-6,11-13H,7-10H2,1-3H3;1H