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

Systemtic Name: 4-[2-(ethylsulfanylmethyl)-1,3-benzothiazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[2-(ethylsulfanylmethyl)-1,3-benzothiazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[2-[(ethylthio)methyl]-1,3-benzothiazol-5-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[2-(ethylsulfanylmethyl)-1,3-benzothiazol-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[2-[(ethylthio)methyl]-1,3-benzothiazol-5-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C31H28N4O5S4 MolecularWeight: 664.83782

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=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

CCSCC1=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/C31H28N4O5S4/c1-2-41-20-30-33-27-18-23(12-15-29(27)43-30)21-8-10-22(11-9-21)31(36)34-44(39,40)25-13-14-26(28(19-25)35(37)38)32-16-17-42-24-6-4-3-5-7-24/h3-15,18-19,32H,2,16-17,20H2,1H3,(H,34,36)