phenethyl 4-[(4-chloranyl-3-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(4-chloranyl-3-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(4-chloro-3-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(4-chloro-3-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-chloro-3-nitro-phenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C19H18ClN3O5S MolecularWeight: 435.88132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O5S/c20-15-7-6-14(12-16(15)23(26)27)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)