4-(2-methyl-1,3-benzothiazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(2-methyl-1,3-benzothiazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(2-methyl-1,3-benzothiazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(2-methyl-1,3-benzothiazol-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(2-methyl-1,3-benzothiazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(2-methyl-1,3-benzothiazol-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C29H24N4O5S3 MolecularWeight: 604.71966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H24N4O5S3/c1-19-31-26-17-22(11-14-28(26)40-19)20-7-9-21(10-8-20)29(34)32-41(37,38)24-12-13-25(27(18-24)33(35)36)30-15-16-39-23-5-3-2-4-6-23/h2-14,17-18,30H,15-16H2,1H3,(H,32,34)