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

Systemtic Name: methyl 2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: 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]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H28N2O4S2 MolecularWeight: 460.60942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C(C)C

InChI

InChI=1S/C23H28N2O4S2/c1-13(2)16-10-9-15(11-14(16)3)29-12-19(26)24-23(30)25-21-20(22(27)28-4)17-7-5-6-8-18(17)31-21/h9-11,13H,5-8,12H2,1-4H3,(H2,24,25,26,30)