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

Systemtic Name: methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(1,3-benzodioxol-5-yl)ethylamino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)ethylthiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S2/c1-11-4-6-14-17(8-11)29-19(18(14)20(24)25-3)23-21(28)22-12(2)13-5-7-15-16(9-13)27-10-26-15/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H2,22,23,28)