[2-(azepan-1-yl)-5-(4-nitrophenyl)carbonyl-1,3-thiazol-4-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [2-(azepan-1-yl)-5-(4-nitrophenyl)carbonyl-1,3-thiazol-4-yl]-(4-methoxyphenyl)methanone Openeye Name: [2-(azepan-1-yl)-5-(4-nitrobenzoyl)thiazol-4-yl]-(4-methoxyphenyl)methanone CAS Name: [2-(1-azepanyl)-5-[(4-nitrophenyl)-oxomethyl]-4-thiazolyl]-(4-methoxyphenyl)methanone IUPAC Name: [2-(azepan-1-yl)-5-(4-nitrobenzoyl)-1,3-thiazol-4-yl]-(4-methoxyphenyl)methanone Traditional Name: [2-(azepan-1-yl)-5-(4-nitrobenzoyl)thiazol-4-yl]-(4-methoxyphenyl)methanone Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C(SC(=N2)N3CCCCCC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C(SC(=N2)N3CCCCCC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O5S/c1-32-19-12-8-16(9-13-19)21(28)20-23(22(29)17-6-10-18(11-7-17)27(30)31)33-24(25-20)26-14-4-2-3-5-15-26/h6-13H,2-5,14-15H2,1H3