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

Systemtic Name: 4-(2-but-3-enyl-1,3-benzothiazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(2-but-3-enyl-1,3-benzothiazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(2-but-3-enyl-1,3-benzothiazol-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(2-but-3-enyl-1,3-benzothiazol-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(2-but-3-enyl-1,3-benzothiazol-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C32H28N4O5S3 MolecularWeight: 644.78352

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1=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

C=CCCC1=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/C32H28N4O5S3/c1-2-3-9-31-34-28-20-24(14-17-30(28)43-31)22-10-12-23(13-11-22)32(37)35-44(40,41)26-15-16-27(29(21-26)36(38)39)33-18-19-42-25-7-5-4-6-8-25/h2,4-8,10-17,20-21,33H,1,3,9,18-19H2,(H,35,37)