S-methyl 4-(3-bromophenyl)-1-[(2-methoxy-5,6-dimethyl-pyridin-3-yl)amino]piperazine-2-carbothioate

Systemtic Name: S-methyl 4-(3-bromophenyl)-1-[(2-methoxy-5,6-dimethyl-pyridin-3-yl)amino]piperazine-2-carbothioate Openeye Name: S-methyl 4-(3-bromophenyl)-1-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino]piperazine-2-carbothioate CAS Name: 4-(3-bromophenyl)-1-[(2-methoxy-5,6-dimethyl-3-pyridinyl)amino]-2-piperazinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-(3-bromophenyl)-1-[(2-methoxy-5,6-dimethylpyridin-3-yl)amino]piperazine-2-carbothioate Traditional Name: 4-(3-bromophenyl)-1-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino]piperazine-2-carbothioic acid S-methyl ester Formula: C20H25BrN4O2S MolecularWeight: 465.4071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1C)OC)NN2CCN(CC2C(=O)SC)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(N=C1C)OC)NN2CCN(CC2C(=O)SC)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H25BrN4O2S/c1-13-10-17(19(27-3)22-14(13)2)23-25-9-8-24(12-18(25)20(26)28-4)16-7-5-6-15(21)11-16/h5-7,10-11,18,23H,8-9,12H2,1-4H3