N-(5-acetamido-2-methoxy-phenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-4-(isoamylthio)-3-nitro-benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-13(2)9-10-30-20-8-5-15(11-18(20)24(27)28)21(26)23-17-12-16(22-14(3)25)6-7-19(17)29-4/h5-8,11-13H,9-10H2,1-4H3,(H,22,25)(H,23,26)