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

Systemtic Name: 3,4-dimethoxy-N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide Openeye Name: 3,4-dimethoxy-N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide CAS Name: 3,4-dimethoxy-N-[2-[3-[(4-nitrophenyl)methylthio]-1-indolyl]ethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[2-[3-[(4-nitrophenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide Traditional Name: 3,4-dimethoxy-N-[2-[3-[(4-nitrobenzyl)thio]indol-1-yl]ethyl]benzamide Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C26H25N3O5S/c1-33-23-12-9-19(15-24(23)34-2)26(30)27-13-14-28-16-25(21-5-3-4-6-22(21)28)35-17-18-7-10-20(11-8-18)29(31)32/h3-12,15-16H,13-14,17H2,1-2H3,(H,27,30)