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

Systemtic Name: ethyl 2-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(2-methoxy-5-methylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(2-methoxy-5-methylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-methoxy-5-methyl-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O3S2 MolecularWeight: 440.57826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)C)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)C)OC

InChI

InChI=1S/C23H24N2O3S2/c1-4-28-22(26)18-14-17(13-16-8-6-5-7-9-16)30-21(18)25-23(29)24-19-12-15(2)10-11-20(19)27-3/h5-12,14H,4,13H2,1-3H3,(H2,24,25,29)