ethyl 4-(3,4-dimethylphenyl)-2-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-[[2-(2-isopropylphenoxy)acetyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-[[2-(2-propan-2-ylphenoxy)acetyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-[[2-(2-isopropylphenoxy)acetyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H30N2O4S2 MolecularWeight: 510.6681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=S)NC(=O)COC3=CC=CC=C3C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=S)NC(=O)COC3=CC=CC=C3C(C)C

InChI

InChI=1S/C27H30N2O4S2/c1-6-32-26(31)24-21(19-12-11-17(4)18(5)13-19)15-35-25(24)29-27(34)28-23(30)14-33-22-10-8-7-9-20(22)16(2)3/h7-13,15-16H,6,14H2,1-5H3,(H2,28,29,30,34)