[2-[2-[4-(diethylamino)phenyl]carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[2-[4-(diethylamino)phenyl]carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[2-[4-(diethylamino)benzoyl]hydrazino]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[[[4-(diethylamino)phenyl]-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-[N'-[4-(diethylamino)benzoyl]hydrazino]-2-keto-ethyl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H25N3O4S/c1-4-24(5-2)17-10-6-15(7-11-17)20(26)23-22-19(25)14-28-21(27)16-8-12-18(29-3)13-9-16/h6-13H,4-5,14H2,1-3H3,(H,22,25)(H,23,26)