2-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylidene]-N,N'-bis(phenylmethyl)propanediamide

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylidene]-N,N'-bis(phenylmethyl)propanediamide Openeye Name: 2-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylene]-N,N'-dibenzyl-propanediamide CAS Name: 2-[[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methylidene]-N,N'-bis(phenylmethyl)propanediamide IUPAC Name: 2-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylidene]-N,N'-dibenzylpropanediamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzylidene]-N,N'-dibenzyl-malonamide Formula: C31H24N4O4S2 MolecularWeight: 580.67666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-])C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-])C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C31H24N4O4S2/c36-29(32-19-21-9-3-1-4-10-21)24(30(37)33-20-22-11-5-2-6-12-22)17-23-15-16-28(26(18-23)35(38)39)41-31-34-25-13-7-8-14-27(25)40-31/h1-18H,19-20H2,(H,32,36)(H,33,37)