3-phenylpropyl 4-(benzamidocarbamothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-(benzamidocarbamothioylamino)-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(benzamidocarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[(benzoylhydrazo)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(benzamidocarbamothioylamino)-4-oxobutanoate Traditional Name: 4-(benzamidothiocarbamoylamino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O4S/c25-18(22-21(29)24-23-20(27)17-11-5-2-6-12-17)13-14-19(26)28-15-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12H,7,10,13-15H2,(H,23,27)(H2,22,24,25,29)