methyl 2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-ethyl-6-methylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)C

InChI

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