methyl 4-oxidanylidene-4-[(4-phenyldiazenylphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[(4-phenyldiazenylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[(4-phenylazophenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[(4-phenyldiazenylanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[(4-phenyldiazenylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-phenylazophenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)N=NC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)N=NC2=CC=CC=C2

InChI

InChI=1S/C18H18N4O3S/c1-25-17(24)12-11-16(23)20-18(26)19-13-7-9-15(10-8-13)22-21-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,19,20,23,26)