[2-methoxy-4-(4-methylpiperidin-1-yl)carbothioyl-phenyl] 4-methoxybenzoate

Systemtic Name: [2-methoxy-4-(4-methylpiperidin-1-yl)carbothioyl-phenyl] 4-methoxybenzoate Openeye Name: [2-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-methoxy-4-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]phenyl] ester IUPAC Name: [2-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)OC

Isomeric SMILES

CC1CCN(CC1)C(=S)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C22H25NO4S/c1-15-10-12-23(13-11-15)21(28)17-6-9-19(20(14-17)26-3)27-22(24)16-4-7-18(25-2)8-5-16/h4-9,14-15H,10-13H2,1-3H3