methyl 2-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4,6-dimethyl-2-pyridyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(4,6-dimethyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4,6-dimethyl-2-pyridyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H23N3O2S2 MolecularWeight: 389.53482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC(=CC(=N3)C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC(=CC(=N3)C)C

InChI

InChI=1S/C19H23N3O2S2/c1-10-5-6-13-14(8-10)26-17(16(13)18(23)24-4)22-19(25)21-15-9-11(2)7-12(3)20-15/h7,9-10H,5-6,8H2,1-4H3,(H2,20,21,22,25)