3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-[(4-nitrophenyl)amino]ethyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[2-[(4-nitrophenyl)amino]ethyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[2-(4-nitroanilino)ethyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[2-(4-nitroanilino)ethyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[2-(4-nitroanilino)ethyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-[2-(4-nitroanilino)ethyl]propionamide Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCNC(=O)CCSCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCCNC(=O)CCSCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O4S/c14-12(18)9-22-8-5-13(19)16-7-6-15-10-1-3-11(4-2-10)17(20)21/h1-4,15H,5-9H2,(H2,14,18)(H,16,19)