methyl 6-methyl-2-[1-(4-propan-2-ylphenyl)propylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[1-(4-propan-2-ylphenyl)propylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[1-(4-isopropylphenyl)propylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[1-(4-propan-2-ylphenyl)propylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[1-(4-propan-2-ylphenyl)propylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-(1-p-cumenylpropylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H32N2O2S2 MolecularWeight: 444.65308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C(C)C)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC

Isomeric SMILES

CCC(C1=CC=C(C=C1)C(C)C)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC

InChI

InChI=1S/C24H32N2O2S2/c1-6-19(17-10-8-16(9-11-17)14(2)3)25-24(29)26-22-21(23(27)28-5)18-12-7-15(4)13-20(18)30-22/h8-11,14-15,19H,6-7,12-13H2,1-5H3,(H2,25,26,29)