4-methylsulfanyl-N-[2-[(2-nitrophenyl)amino]ethyl]-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: 4-methylsulfanyl-N-[2-[(2-nitrophenyl)amino]ethyl]-2-(2-phenoxyethanoylamino)butanamide Openeye Name: 4-methylsulfanyl-N-[2-(2-nitroanilino)ethyl]-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: 4-(methylthio)-N-[2-(2-nitroanilino)ethyl]-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: 4-methylsulfanyl-N-[2-(2-nitroanilino)ethyl]-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: 4-(methylthio)-N-[2-(2-nitroanilino)ethyl]-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H26N4O5S MolecularWeight: 446.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H26N4O5S/c1-31-14-11-18(24-20(26)15-30-16-7-3-2-4-8-16)21(27)23-13-12-22-17-9-5-6-10-19(17)25(28)29/h2-10,18,22H,11-15H2,1H3,(H,23,27)(H,24,26)