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

Systemtic Name: S-[(2-methoxy-5,6-dimethyl-pyridin-3-yl)amino] 4-(3-bromophenyl)piperazine-1-carbothioate Openeye Name: S-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino] 4-(3-bromophenyl)piperazine-1-carbothioate CAS Name: 4-(3-bromophenyl)-1-piperazinecarbothioic acid S-[(2-methoxy-5,6-dimethyl-3-pyridinyl)amino] ester IUPAC Name: S-[(2-methoxy-5,6-dimethylpyridin-3-yl)amino] 4-(3-bromophenyl)piperazine-1-carbothioate Traditional Name: 4-(3-bromophenyl)piperazine-1-carbothioic acid S-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino] ester Formula: C19H23BrN4O2S MolecularWeight: 451.38052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(N=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H23BrN4O2S/c1-13-11-17(18(26-3)21-14(13)2)22-27-19(25)24-9-7-23(8-10-24)16-6-4-5-15(20)12-16/h4-6,11-12,22H,7-10H2,1-3H3