methyl 6-[(4-phenyldiazenylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-phenyldiazenylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-phenylazophenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(4-phenyldiazenylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-phenyldiazenylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(4-phenylazophenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2S/c1-26-19(25)10-6-3-7-15-21-20(27)22-16-11-13-18(14-12-16)24-23-17-8-4-2-5-9-17/h2,4-5,8-9,11-14H,3,6-7,10,15H2,1H3,(H2,21,22,27)