1-(azepan-1-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[1-[(4-nitrophenyl)methyl]-3-indolyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[1-(4-nitrobenzyl)indol-3-yl]thio]ethanone Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O3S/c27-23(24-13-5-1-2-6-14-24)17-30-22-16-25(21-8-4-3-7-20(21)22)15-18-9-11-19(12-10-18)26(28)29/h3-4,7-12,16H,1-2,5-6,13-15,17H2