methyl 2-[[(2-methylfuran-3-yl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(2-methylfuran-3-yl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(2-methylfuran-3-carbonyl)amino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[(2-methyl-3-furanyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-methylfuran-3-carbonyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2-methyl-3-furoyl)amino]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NNC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=CO1)C(=O)NNC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H17N3O4S2/c1-11-13(8-9-26-11)16(23)21-22-19(27)20-17-14(18(24)25-2)10-15(28-17)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,21,23)(H2,20,22,27)