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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenoxyphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenoxyphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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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)OC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C25H27N3O4S2/c1-5-28(6-2)23(29)21-16(3)20(24(30)31-4)22(34-21)27-25(33)26-17-12-14-19(15-13-17)32-18-10-8-7-9-11-18/h7-15H,5-6H2,1-4H3,(H2,26,27,33)