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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CCN(CC2)C(=O)SNC3=NC(=C(N=C3OC)C)C

Isomeric SMILES

CCC1=CC=CC=C1N2CCN(CC2)C(=O)SNC3=NC(=C(N=C3OC)C)C

InChI

InChI=1S/C20H27N5O2S/c1-5-16-8-6-7-9-17(16)24-10-12-25(13-11-24)20(26)28-23-18-19(27-4)22-15(3)14(2)21-18/h6-9H,5,10-13H2,1-4H3,(H,21,23)