[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanethione

Systemtic Name: [4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanethione Openeye Name: [4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-(3,4,5-trimethoxyphenyl)methanethione CAS Name: [4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-(3,4,5-trimethoxyphenyl)methanethione IUPAC Name: [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanethione Traditional Name: [4-(4-chlorophenyl)-4-hydroxy-piperidino]-(3,4,5-trimethoxyphenyl)methanethione Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=S)N2CCC(CC2)(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=S)N2CCC(CC2)(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H24ClNO4S/c1-25-17-12-14(13-18(26-2)19(17)27-3)20(28)23-10-8-21(24,9-11-23)15-4-6-16(22)7-5-15/h4-7,12-13,24H,8-11H2,1-3H3