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

Systemtic Name: S-[(3-methoxy-5,6-dimethyl-pyrazin-2-yl)amino] 4-(2-methylsulfanylphenyl)piperazine-1-carbothioate Openeye Name: S-[(3-methoxy-5,6-dimethyl-pyrazin-2-yl)amino] 4-(2-methylsulfanylphenyl)piperazine-1-carbothioate CAS Name: 4-[2-(methylthio)phenyl]-1-piperazinecarbothioic acid S-[(3-methoxy-5,6-dimethyl-2-pyrazinyl)amino] ester IUPAC Name: S-[(3-methoxy-5,6-dimethylpyrazin-2-yl)amino] 4-(2-methylsulfanylphenyl)piperazine-1-carbothioate Traditional Name: 4-[2-(methylthio)phenyl]piperazine-1-carbothioic acid S-[(3-methoxy-5,6-dimethyl-pyrazin-2-yl)amino] ester Formula: C19H25N5O2S2 MolecularWeight: 419.5641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=N1)NSC(=O)N2CCN(CC2)C3=CC=CC=C3SC)OC)C

Isomeric SMILES

CC1=C(N=C(C(=N1)NSC(=O)N2CCN(CC2)C3=CC=CC=C3SC)OC)C

InChI

InChI=1S/C19H25N5O2S2/c1-13-14(2)21-18(26-3)17(20-13)22-28-19(25)24-11-9-23(10-12-24)15-7-5-6-8-16(15)27-4/h5-8H,9-12H2,1-4H3,(H,20,22)