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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)N(C)C(=O)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)N(C)C(=O)C)C(=O)OC

InChI

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