ethyl 5-phenyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(3-phenylpropylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(3-phenylpropylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O2S2 MolecularWeight: 424.57886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCCC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O2S2/c1-2-27-22(26)19-16-20(18-13-7-4-8-14-18)29-21(19)25-23(28)24-15-9-12-17-10-5-3-6-11-17/h3-8,10-11,13-14,16H,2,9,12,15H2,1H3,(H2,24,25,28)