N-(4-aminocarbonylphenyl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-(4-aminocarbonylphenyl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-(4-carbamoylphenyl)-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-(4-carbamoylphenyl)-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-(4-carbamoylphenyl)-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(4-carbamoylphenyl)-3-nitro-4-(p-tolylthio)benzamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S/c1-13-2-9-17(10-3-13)29-19-11-6-15(12-18(19)24(27)28)21(26)23-16-7-4-14(5-8-16)20(22)25/h2-12H,1H3,(H2,22,25)(H,23,26)