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

Systemtic Name: methyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(3,3-diphenylpropylamino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-ethylthiophene-3-carboxylate Traditional Name: 2-(3,3-diphenylpropylthiocarbamoylamino)-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H26N2O2S2/c1-3-19-16-21(23(27)28-2)22(30-19)26-24(29)25-15-14-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,20H,3,14-15H2,1-2H3,(H2,25,26,29)