N-[3-[azanyl(propanoyl)amino]-2-[(2-nitrophenyl)sulfanylamino]butyl]methanamide

Systemtic Name: N-[3-[azanyl(propanoyl)amino]-2-[(2-nitrophenyl)sulfanylamino]butyl]methanamide Openeye Name: N-[3-[amino(propanoyl)amino]-2-[(2-nitrophenyl)sulfanylamino]butyl]formamide CAS Name: N-[3-[amino(1-oxopropyl)amino]-2-[[(2-nitrophenyl)thio]amino]butyl]formamide IUPAC Name: N-[3-[amino(propanoyl)amino]-2-[(2-nitrophenyl)sulfanylamino]butyl]formamide Traditional Name: N-[3-[amino(propionyl)amino]-2-[[(2-nitrophenyl)thio]amino]butyl]formamide Formula: C14H21N5O4S MolecularWeight: 355.41264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C(C)C(CNC=O)NSC1=CC=CC=C1[N+](=O)[O-])N

Isomeric SMILES

CCC(=O)N(C(C)C(CNC=O)NSC1=CC=CC=C1[N+](=O)[O-])N

InChI

InChI=1S/C14H21N5O4S/c1-3-14(21)18(15)10(2)11(8-16-9-20)17-24-13-7-5-4-6-12(13)19(22)23/h4-7,9-11,17H,3,8,15H2,1-2H3,(H,16,20)