4-[2-[[(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[[(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[[(4-methoxyphenyl)-phenyl-methyl]amino]ethyl]thio]-3-nitro-benzamide Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O5S/c1-31-18-10-7-16(8-11-18)22(15-5-3-2-4-6-15)25-21(27)14-32-20-12-9-17(23(24)28)13-19(20)26(29)30/h2-13,22H,14H2,1H3,(H2,24,28)(H,25,27)