methyl 5-methyl-4-phenyl-2-(pyridin-4-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-(pyridin-4-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-(4-pyridylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(pyridin-4-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-(pyridin-4-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(4-pyridylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H17N3O2S2 MolecularWeight: 383.48718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=NC=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=NC=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O2S2/c1-12-15(13-6-4-3-5-7-13)16(18(23)24-2)17(26-12)22-19(25)21-14-8-10-20-11-9-14/h3-11H,1-2H3,(H2,20,21,22,25)