phenethyl 4-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoylamino]butyric acid phenethyl ester Formula: C21H22N4O7S MolecularWeight: 474.48698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O7S/c26-18(10-11-20(28)31-13-12-15-4-2-1-3-5-15)22-21(33)24-23-19(27)14-32-17-8-6-16(7-9-17)25(29)30/h1-9H,10-14H2,(H,23,27)(H2,22,24,26,33)