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

Systemtic Name: [2-[2-[4-(diethylamino)phenyl]carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-[2-[4-(diethylamino)benzoyl]hydrazino]-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-[[[4-(diethylamino)phenyl]-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic 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)CSC2=CC=CC=C2

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O4S/c1-3-24(4-2)17-12-10-16(11-13-17)21(27)23-22-19(25)14-28-20(26)15-29-18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3,(H,22,25)(H,23,27)