methyl 2-(3,3-diphenylpropylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,3-diphenylpropylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3,3-diphenylpropylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(3,3-diphenylpropylamino)-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-diphenylpropylcarbamothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-(3,3-diphenylpropylthiocarbamoylamino)-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H28N2O2S2 MolecularWeight: 452.63202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C25H28N2O2S2/c1-4-20-17(2)31-23(22(20)24(28)29-3)27-25(30)26-16-15-21(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,21H,4,15-16H2,1-3H3,(H2,26,27,30)