4-[2-[(4-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(4-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(N-benzyl-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(4-methyl-N-(phenylmethyl)anilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(N-benzyl-4-methylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(N-benzyl-4-methyl-anilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O4S/c1-16-7-10-19(11-8-16)25(14-17-5-3-2-4-6-17)22(27)15-31-21-12-9-18(23(24)28)13-20(21)26(29)30/h2-13H,14-15H2,1H3,(H2,24,28)