(4-methylsulfanyl-3-nitro-phenyl)-[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone Openeye Name: [4-[1-[(4-isopropylphenyl)methyl]imidazol-2-yl]-1-piperidyl]-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-[4-[1-[(4-propan-2-ylphenyl)methyl]-2-imidazolyl]-1-piperidinyl]methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone Traditional Name: [4-[1-(4-isopropylbenzyl)imidazol-2-yl]piperidino]-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2C=CN=C2C3CCN(CC3)C(=O)C4=CC(=C(C=C4)SC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2C=CN=C2C3CCN(CC3)C(=O)C4=CC(=C(C=C4)SC)[N+](=O)[O-]

InChI

InChI=1S/C26H30N4O3S/c1-18(2)20-6-4-19(5-7-20)17-29-15-12-27-25(29)21-10-13-28(14-11-21)26(31)22-8-9-24(34-3)23(16-22)30(32)33/h4-9,12,15-16,18,21H,10-11,13-14,17H2,1-3H3