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

Systemtic Name: S-[(5-ethyl-2-methoxy-6-methyl-pyridin-3-yl)amino] 4-(3-chlorophenyl)piperazine-1-carbothioate Openeye Name: S-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino] 4-(3-chlorophenyl)piperazine-1-carbothioate CAS Name: 4-(3-chlorophenyl)-1-piperazinecarbothioic acid S-[(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)amino] ester IUPAC Name: S-[(5-ethyl-2-methoxy-6-methylpyridin-3-yl)amino] 4-(3-chlorophenyl)piperazine-1-carbothioate Traditional Name: 4-(3-chlorophenyl)piperazine-1-carbothioic acid S-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino] ester Formula: C20H25ClN4O2S MolecularWeight: 420.9561

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(N=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC1=CC(=C(N=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H25ClN4O2S/c1-4-15-12-18(19(27-3)22-14(15)2)23-28-20(26)25-10-8-24(9-11-25)17-7-5-6-16(21)13-17/h5-7,12-13,23H,4,8-11H2,1-3H3