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

Systemtic Name: methyl 5-methyl-4-phenyl-2-(pyridin-4-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-(4-pyridylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(pyridin-4-ylmethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-(pyridin-4-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(4-pyridylmethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NCC2=CC=NC=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCC2=CC=NC=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O2S2/c1-13-16(15-6-4-3-5-7-15)17(19(24)25-2)18(27-13)23-20(26)22-12-14-8-10-21-11-9-14/h3-11H,12H2,1-2H3,(H2,22,23,26)