ethyl 6-methyl-2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H32N2O4S2 MolecularWeight: 488.66258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)COC3=CC(=C(C=C3)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)COC3=CC(=C(C=C3)C(C)C)C

InChI

InChI=1S/C25H32N2O4S2/c1-6-30-24(29)22-19-9-7-15(4)11-20(19)33-23(22)27-25(32)26-21(28)13-31-17-8-10-18(14(2)3)16(5)12-17/h8,10,12,14-15H,6-7,9,11,13H2,1-5H3,(H2,26,27,28,32)