methyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(3,4-dimethoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-(veratrylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26N2O4S2/c1-12-5-7-14-17(9-12)29-19(18(14)20(24)27-4)23-21(28)22-11-13-6-8-15(25-2)16(10-13)26-3/h6,8,10,12H,5,7,9,11H2,1-4H3,(H2,22,23,28)