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

Systemtic Name: S-[(3-methoxy-5,6-dimethyl-pyrazin-2-yl)amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate Openeye Name: S-[(3-methoxy-5,6-dimethyl-pyrazin-2-yl)amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate CAS Name: 4-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)piperazine-1-carbothioate Traditional Name: 4-(3,5-dimethylphenyl)piperazine-1-carbothioic acid S-[(3-methoxy-5,6-dimethyl-pyrazin-2-yl)amino] ester Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=NC(=C(N=C3OC)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=NC(=C(N=C3OC)C)C)C

InChI

InChI=1S/C20H27N5O2S/c1-13-10-14(2)12-17(11-13)24-6-8-25(9-7-24)20(26)28-23-18-19(27-5)22-16(4)15(3)21-18/h10-12H,6-9H2,1-5H3,(H,21,23)