phenethyl 4-[(2-bromanyl-4-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(2-bromanyl-4-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(2-bromo-4-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(2-bromo-4-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-bromo-4-nitro-phenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C19H18BrN3O5S MolecularWeight: 480.33232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C19H18BrN3O5S/c20-15-12-14(23(26)27)6-7-16(15)21-19(29)22-17(24)8-9-18(25)28-11-10-13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H2,21,22,24,29)