ethyl 5-phenyl-2-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-methyl-3-phenyl-propyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(4-phenylbutan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-[(1-methyl-3-phenyl-propyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC(C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC(C)CCC3=CC=CC=C3

InChI

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