methyl 5-methyl-4-phenyl-2-[(pyridin-2-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-[(pyridin-2-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[(pyridine-2-carbonylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[oxo(2-pyridinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[(pyridine-2-carbonylamino)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(picolinamidothiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NNC(=O)C2=CC=CC=N2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NNC(=O)C2=CC=CC=N2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O3S2/c1-12-15(13-8-4-3-5-9-13)16(19(26)27-2)18(29-12)22-20(28)24-23-17(25)14-10-6-7-11-21-14/h3-11H,1-2H3,(H,23,25)(H2,22,24,28)