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

Systemtic Name: methyl 2-[(3,4-dimethylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3,4-dimethylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dimethylphenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2S2/c1-13-10-11-17(12-14(13)2)23-22(27)24-20-19(21(25)26-4)18(15(3)28-20)16-8-6-5-7-9-16/h5-12H,1-4H3,(H2,23,24,27)