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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[(4-phenyldiazenylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[(4-phenylazophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(4-phenyldiazenylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[(4-phenyldiazenylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[(4-phenylazophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H24N4O2S2 MolecularWeight: 500.63506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)N=NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)N=NC4=CC=CC=C4

InChI

InChI=1S/C27H24N4O2S2/c1-3-33-26(32)24-23(19-10-6-4-7-11-19)18(2)35-25(24)29-27(34)28-20-14-16-22(17-15-20)31-30-21-12-8-5-9-13-21/h4-17H,3H2,1-2H3,(H2,28,29,34)