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

Systemtic Name: methyl 4-[(4-phenyldiazenylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(4-phenylazophenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-phenyldiazenylanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-phenyldiazenylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-phenylazophenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S/c1-24-17(23)8-5-13-19-18(25)20-14-9-11-16(12-10-14)22-21-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3,(H2,19,20,25)