N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]thio]ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]sulfanyl]ethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[[2-(4-methoxyphenyl)-1H-indol-3-yl]thio]ethyl]-4-methyl-3-nitro-benzamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCSC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCSC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O4S/c1-16-7-8-18(15-22(16)28(30)31)25(29)26-13-14-33-24-20-5-3-4-6-21(20)27-23(24)17-9-11-19(32-2)12-10-17/h3-12,15,27H,13-14H2,1-2H3,(H,26,29)