ethyl 5-methyl-4-phenyl-2-[(2,4,6-trimethylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[(2,4,6-trimethylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[(2,4,6-trimethylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[sulfanylidene-(2,4,6-trimethylanilino)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[(2,4,6-trimethylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-(mesitylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C24H26N2O2S2/c1-6-28-23(27)20-19(18-10-8-7-9-11-18)17(5)30-22(20)26-24(29)25-21-15(3)12-14(2)13-16(21)4/h7-13H,6H2,1-5H3,(H2,25,26,29)