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

Systemtic Name: methyl 2-[(4-phenyldiazenylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(4-phenylazophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(4-phenyldiazenylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(4-phenyldiazenylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-phenylazophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C26H22N4O2S2 MolecularWeight: 486.60848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O2S2/c1-32-25(31)23-17-22(16-18-8-4-2-5-9-18)34-24(23)28-26(33)27-19-12-14-21(15-13-19)30-29-20-10-6-3-7-11-20/h2-15,17H,16H2,1H3,(H2,27,28,33)