dimethyl 3-methyl-5-[[(4-phenylphenyl)carbonylamino]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[[(4-phenylphenyl)carbonylamino]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[(4-phenylbenzoyl)amino]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[(4-phenylbenzoyl)amino]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[(4-phenylbenzoyl)amino]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C23H21N3O5S2 MolecularWeight: 483.55994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H21N3O5S2/c1-13-17(21(28)30-2)20(33-18(13)22(29)31-3)24-23(32)26-25-19(27)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,25,27)(H2,24,26,32)