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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(1-methyl-3-phenyl-propyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(4-phenylbutan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(1-methyl-3-phenyl-propyl)thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O2S2 MolecularWeight: 452.63202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC(C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC(C)CCC3=CC=CC=C3

InChI

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