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

Systemtic Name: methyl 2-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[1-(4-sec-butylphenyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(4-butan-2-ylphenyl)ethylamino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[1-(4-sec-butylphenyl)ethylthiocarbamoylamino]-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(C)C1=CC=C(C=C1)C(C)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC

Isomeric SMILES

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

InChI

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