N-(2-acetamidoethyl)-5-methylsulfanyl-2-nitro-benzamide

Systemtic Name: N-(2-acetamidoethyl)-5-methylsulfanyl-2-nitro-benzamide Openeye Name: N-(2-acetamidoethyl)-5-methylsulfanyl-2-nitro-benzamide CAS Name: N-(2-acetamidoethyl)-5-(methylthio)-2-nitrobenzamide IUPAC Name: N-(2-acetamidoethyl)-5-methylsulfanyl-2-nitrobenzamide Traditional Name: N-(2-acetamidoethyl)-5-(methylthio)-2-nitro-benzamide Formula: C12H15N3O4S MolecularWeight: 297.3302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1=C(C=CC(=C1)SC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCNC(=O)C1=C(C=CC(=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O4S/c1-8(16)13-5-6-14-12(17)10-7-9(20-2)3-4-11(10)15(18)19/h3-4,7H,5-6H2,1-2H3,(H,13,16)(H,14,17)