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

Systemtic Name: methyl 2-[(3,4-dimethoxyphenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3,4-dimethoxyphenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dimethoxyphenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3,4-dimethoxyphenyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H24N2O4S2/c1-11-5-7-13-16(9-11)28-18(17(13)19(23)26-4)22-20(27)21-12-6-8-14(24-2)15(10-12)25-3/h6,8,10-11H,5,7,9H2,1-4H3,(H2,21,22,27)