3,5-dimethyl-N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide

Systemtic Name: 3,5-dimethyl-N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide Openeye Name: 3,5-dimethyl-N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide CAS Name: 3,5-dimethyl-N-[2-[3-[(4-nitrophenyl)methylthio]-1-indolyl]ethyl]benzamide IUPAC Name: 3,5-dimethyl-N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide Traditional Name: 3,5-dimethyl-N-[2-[3-[(4-nitrobenzyl)thio]indol-1-yl]ethyl]benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H25N3O3S/c1-18-13-19(2)15-21(14-18)26(30)27-11-12-28-16-25(23-5-3-4-6-24(23)28)33-17-20-7-9-22(10-8-20)29(31)32/h3-10,13-16H,11-12,17H2,1-2H3,(H,27,30)