S-methyl 4-(3-chlorophenyl)-1-[[5-(hydroxymethyl)-2-methoxy-6-methyl-pyridin-3-yl]amino]piperazine-2-carbothioate

Systemtic Name: S-methyl 4-(3-chlorophenyl)-1-[[5-(hydroxymethyl)-2-methoxy-6-methyl-pyridin-3-yl]amino]piperazine-2-carbothioate Openeye Name: S-methyl 4-(3-chlorophenyl)-1-[[5-(hydroxymethyl)-2-methoxy-6-methyl-3-pyridyl]amino]piperazine-2-carbothioate CAS Name: 4-(3-chlorophenyl)-1-[[5-(hydroxymethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]-2-piperazinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-(3-chlorophenyl)-1-[[5-(hydroxymethyl)-2-methoxy-6-methylpyridin-3-yl]amino]piperazine-2-carbothioate Traditional Name: 4-(3-chlorophenyl)-1-[(2-methoxy-6-methyl-5-methylol-3-pyridyl)amino]piperazine-2-carbothioic acid S-methyl ester Formula: C20H25ClN4O3S MolecularWeight: 436.9555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1CO)NN2CCN(CC2C(=O)SC)C3=CC(=CC=C3)Cl)OC

Isomeric SMILES

CC1=NC(=C(C=C1CO)NN2CCN(CC2C(=O)SC)C3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C20H25ClN4O3S/c1-13-14(12-26)9-17(19(22-13)28-2)23-25-8-7-24(11-18(25)20(27)29-3)16-6-4-5-15(21)10-16/h4-6,9-10,18,23,26H,7-8,11-12H2,1-3H3