ethyl 2-[1-(2,5-dimethylphenyl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[1-(2,5-dimethylphenyl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[1-(2,5-dimethylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(2,5-dimethylphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[1-(2,5-dimethylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[1-(2,5-dimethylphenyl)ethylthiocarbamoylamino]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(=C1)CC2=CC=CC=C2)NC(=S)NC(C)C3=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O2S2/c1-5-29-24(28)22-15-20(14-19-9-7-6-8-10-19)31-23(22)27-25(30)26-18(4)21-13-16(2)11-12-17(21)3/h6-13,15,18H,5,14H2,1-4H3,(H2,26,27,30)