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

Systemtic Name: ethyl 2-[(2-methyl-6-propan-2-yl-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-isopropyl-6-methyl-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-methyl-6-propan-2-ylanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-methyl-6-propan-2-ylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-isopropyl-6-methyl-phenyl)thiocarbamoylamino]-5-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(=C1)C2=CC=CC=C2)NC(=S)NC3=C(C=CC=C3C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O2S2/c1-5-28-23(27)19-14-20(17-11-7-6-8-12-17)30-22(19)26-24(29)25-21-16(4)10-9-13-18(21)15(2)3/h6-15H,5H2,1-4H3,(H2,25,26,29)