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

Systemtic Name: N-[(3-acetamidophenyl)methyl]-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-[(3-acetamidophenyl)methyl]-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-[(3-acetamidophenyl)methyl]-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-[(3-acetamidophenyl)methyl]-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(3-acetamidobenzyl)-3-nitro-4-(p-tolylthio)benzamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O4S/c1-15-6-9-20(10-7-15)31-22-11-8-18(13-21(22)26(29)30)23(28)24-14-17-4-3-5-19(12-17)25-16(2)27/h3-13H,14H2,1-2H3,(H,24,28)(H,25,27)