methyl 2-[(3-methylpyridin-2-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-methylpyridin-2-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(3-methyl-2-pyridyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(3-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(3-methylpyridin-2-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3-methyl-2-pyridyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H19N3O2S2 MolecularWeight: 397.51376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(N=CC=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H19N3O2S2/c1-13-7-6-10-21-17(13)22-20(26)23-18-16(19(24)25-2)12-15(27-18)11-14-8-4-3-5-9-14/h3-10,12H,11H2,1-2H3,(H2,21,22,23,26)