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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)N=NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)N=NC4=CC=CC=C4

InChI

InChI=1S/C27H24N4O2S2/c1-2-33-26(32)24-18-23(17-19-9-5-3-6-10-19)35-25(24)29-27(34)28-20-13-15-22(16-14-20)31-30-21-11-7-4-8-12-21/h3-16,18H,2,17H2,1H3,(H2,28,29,34)