methyl 5-methyl-2-[[2-(4-phenylphenyl)ethanoylamino]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[[2-(4-phenylphenyl)ethanoylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[[2-(4-phenylphenyl)acetyl]amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[1-oxo-2-(4-phenylphenyl)ethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[[2-(4-phenylphenyl)acetyl]amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[[2-(4-phenylphenyl)acetyl]amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H21N3O3S2 MolecularWeight: 439.55044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NNC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NNC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H21N3O3S2/c1-14-12-18(21(27)28-2)20(30-14)23-22(29)25-24-19(26)13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,24,26)(H2,23,25,29)