methyl 3-chloranyl-6-[(4-phenyldiazenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4-phenyldiazenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-phenylazophenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(4-phenyldiazenylanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-phenyldiazenylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-phenylazophenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H17ClN4O2S2 MolecularWeight: 480.98968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)N=NC4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)N=NC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H17ClN4O2S2/c1-30-22(29)21-20(24)18-12-11-17(13-19(18)32-21)26-23(31)25-14-7-9-16(10-8-14)28-27-15-5-3-2-4-6-15/h2-13H,1H3,(H2,25,26,31)