4-[3-(cyanomethyl)-1-benzothiophen-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[3-(cyanomethyl)-1-benzothiophen-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[3-(cyanomethyl)benzothiophen-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[3-(cyanomethyl)-1-benzothiophen-5-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[3-(cyanomethyl)-1-benzothiophen-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[3-(cyanomethyl)benzothiophen-5-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C31H24N4O5S3 MolecularWeight: 628.74106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC5=C(C=C4)SC=C5CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC5=C(C=C4)SC=C5CC#N)[N+](=O)[O-]

InChI

InChI=1S/C31H24N4O5S3/c32-15-14-24-20-42-30-13-10-23(18-27(24)30)21-6-8-22(9-7-21)31(36)34-43(39,40)26-11-12-28(29(19-26)35(37)38)33-16-17-41-25-4-2-1-3-5-25/h1-13,18-20,33H,14,16-17H2,(H,34,36)