dimethyl 5-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[4-[acetyl(methyl)amino]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-[acetyl(methyl)amino]anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-[acetyl(methyl)amino]phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-[acetyl(methyl)amino]phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)N(C)C(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)N(C)C(=O)C)C(=O)OC

InChI

InChI=1S/C19H21N3O5S2/c1-10-14(17(24)26-4)16(29-15(10)18(25)27-5)21-19(28)20-12-6-8-13(9-7-12)22(3)11(2)23/h6-9H,1-5H3,(H2,20,21,28)