methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-(piperonylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O4S2/c1-11-3-5-13-16(7-11)28-18(17(13)19(23)24-2)22-20(27)21-9-12-4-6-14-15(8-12)26-10-25-14/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H2,21,22,27)