methyl 4-ethyl-5-methyl-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[4-(4-pyridylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[4-(4-pyridylmethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H23N3O2S2 MolecularWeight: 425.56692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)C

InChI

InChI=1S/C22H23N3O2S2/c1-4-18-14(2)29-20(19(18)21(26)27-3)25-22(28)24-17-7-5-15(6-8-17)13-16-9-11-23-12-10-16/h5-12H,4,13H2,1-3H3,(H2,24,25,28)