ethyl 4-(4-methylphenyl)-2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]carbamothioylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[[[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]thiocarbamoylamino]-4-(p-tolyl)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)NC(=S)NC(=O)COC3=CC(=C(C=C3)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=S)NC(=O)COC3=CC(=C(C=C3)C(C)C)C

InChI

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