4-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[[4-(m-tolylmethoxy)phenyl]methylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[[4-(3-methylbenzyl)oxybenzyl]amino]ethyl]thio]-3-nitro-benzamide Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=CC=C(C=C2)CNC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)COC2=CC=C(C=C2)CNC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O5S/c1-16-3-2-4-18(11-16)14-32-20-8-5-17(6-9-20)13-26-23(28)15-33-22-10-7-19(24(25)29)12-21(22)27(30)31/h2-12H,13-15H2,1H3,(H2,25,29)(H,26,28)