methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(4-isopropoxycarbonylphenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[4-[oxo(propan-2-yloxy)methyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(4-isopropoxycarbonylphenyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)C(=O)OC(C)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)C(=O)OC(C)C)C(=O)OC)C

InChI

InChI=1S/C23H29N3O5S2/c1-7-26(8-2)20(27)18-14(5)17(22(29)30-6)19(33-18)25-23(32)24-16-11-9-15(10-12-16)21(28)31-13(3)4/h9-13H,7-8H2,1-6H3,(H2,24,25,32)