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

Systemtic Name: methyl 2-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2,5-dimethylphenoxy)acetyl]thiocarbamoylamino]-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S2/c1-12-8-9-13(2)15(10-12)27-11-17(24)22-21(28)23-19-18(20(25)26-3)14-6-4-5-7-16(14)29-19/h8-10H,4-7,11H2,1-3H3,(H2,22,23,24,28)