[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone

Systemtic Name: [4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone Openeye Name: [4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]-[4-methyl-2-(1-piperidyl)thiazol-5-yl]methanone CAS Name: [4-(2-hydroxyethylthio)-3-nitrophenyl]-[4-methyl-2-(1-piperidinyl)-5-thiazolyl]methanone IUPAC Name: [4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]-(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone Traditional Name: [4-(2-hydroxyethylthio)-3-nitro-phenyl]-(4-methyl-2-piperidino-thiazol-5-yl)methanone Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2CCCCC2)C(=O)C3=CC(=C(C=C3)SCCO)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)N2CCCCC2)C(=O)C3=CC(=C(C=C3)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S2/c1-12-17(27-18(19-12)20-7-3-2-4-8-20)16(23)13-5-6-15(26-10-9-22)14(11-13)21(24)25/h5-6,11,22H,2-4,7-10H2,1H3