methyl 5-phenyl-2-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[1-(4-propylphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[1-(4-propylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[1-(4-propylphenyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H26N2O2S2/c1-4-8-17-11-13-18(14-12-17)16(2)25-24(29)26-22-20(23(27)28-3)15-21(30-22)19-9-6-5-7-10-19/h5-7,9-16H,4,8H2,1-3H3,(H2,25,26,29)