[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]methanone

Systemtic Name: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]methanone Openeye Name: [4-(1,3-benzoxazol-2-yl)-1-piperidyl]-(4-isopentylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-[4-(3-methylbutylthio)-3-nitrophenyl]methanone IUPAC Name: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitrophenyl]methanone Traditional Name: [4-(1,3-benzoxazol-2-yl)piperidino]-[4-(isoamylthio)-3-nitro-phenyl]methanone Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O4S/c1-16(2)11-14-32-22-8-7-18(15-20(22)27(29)30)24(28)26-12-9-17(10-13-26)23-25-19-5-3-4-6-21(19)31-23/h3-8,15-17H,9-14H2,1-2H3