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

Systemtic Name: methyl 5-methyl-2-[(2-methyl-4-oxidanyl-phenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-hydroxy-2-methyl-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-hydroxy-2-methylanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-hydroxy-2-methylphenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-hydroxy-2-methyl-phenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)O)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O3S2/c1-12-11-15(24)9-10-16(12)22-21(27)23-19-18(20(25)26-3)17(13(2)28-19)14-7-5-4-6-8-14/h4-11,24H,1-3H3,(H2,22,23,27)