N-[(3-acetamidophenyl)methyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[(3-acetamidophenyl)methyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[(3-acetamidophenyl)methyl]-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-[(3-acetamidophenyl)methyl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[(3-acetamidophenyl)methyl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(3-acetamidobenzyl)-4-(isoamylthio)-3-nitro-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-14(2)9-10-29-20-8-7-17(12-19(20)24(27)28)21(26)22-13-16-5-4-6-18(11-16)23-15(3)25/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,22,26)(H,23,25)