N,N'-bis[3-(4-chloranyl-2-nitro-phenyl)sulfanylphenyl]pentanediamide

Systemtic Name: N,N'-bis[3-(4-chloranyl-2-nitro-phenyl)sulfanylphenyl]pentanediamide Openeye Name: N,N'-bis[3-(4-chloro-2-nitro-phenyl)sulfanylphenyl]pentanediamide CAS Name: N,N'-bis[3-[(4-chloro-2-nitrophenyl)thio]phenyl]pentanediamide IUPAC Name: N,N'-bis[3-(4-chloro-2-nitrophenyl)sulfanylphenyl]pentanediamide Traditional Name: N,N'-bis[3-[(4-chloro-2-nitro-phenyl)thio]phenyl]glutaramide Formula: C29H22Cl2N4O6S2 MolecularWeight: 657.54418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC2=C(C=C(C=C2)Cl)[N+](=O)[O-])NC(=O)CCCC(=O)NC3=CC(=CC=C3)SC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)SC2=C(C=C(C=C2)Cl)[N+](=O)[O-])NC(=O)CCCC(=O)NC3=CC(=CC=C3)SC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C29H22Cl2N4O6S2/c30-18-10-12-26(24(14-18)34(38)39)42-22-6-1-4-20(16-22)32-28(36)8-3-9-29(37)33-21-5-2-7-23(17-21)43-27-13-11-19(31)15-25(27)35(40)41/h1-2,4-7,10-17H,3,8-9H2,(H,32,36)(H,33,37)