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

Systemtic Name: methyl 2-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[acetyl(methyl)amino]phenyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[acetyl(methyl)amino]anilino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[acetyl(methyl)amino]phenyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-[acetyl(methyl)amino]phenyl]thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S2/c1-10-11(2)26-16(15(10)17(23)24-5)20-18(25)19-13-6-8-14(9-7-13)21(4)12(3)22/h6-9H,1-5H3,(H2,19,20,25)