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

Systemtic Name: ethyl 2-(3,3-diphenylpropylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(3,3-diphenylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(3,3-diphenylpropylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(3,3-diphenylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(3,3-diphenylpropylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C30H30N2O2S2 MolecularWeight: 514.7014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H30N2O2S2/c1-2-34-29(33)27-21-25(20-22-12-6-3-7-13-22)36-28(27)32-30(35)31-19-18-26(23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,21,26H,2,18-20H2,1H3,(H2,31,32,35)