1-[2-(dimethylaminomethyl)piperidin-1-yl]-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-en-1-one

Systemtic Name: 1-[2-(dimethylaminomethyl)piperidin-1-yl]-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-en-1-one Openeye Name: 1-[2-(dimethylaminomethyl)-1-piperidyl]-2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-[2-(dimethylaminomethyl)-1-piperidinyl]-2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-2-propen-1-one IUPAC Name: 1-[2-(dimethylaminomethyl)piperidin-1-yl]-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one Traditional Name: 1-[2-(dimethylaminomethyl)piperidino]-2-[3-nitro-4-(o-cumenylthio)phenyl]prop-2-en-1-one Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCCCC3CN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCCCC3CN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H33N3O3S/c1-18(2)22-11-6-7-12-24(22)33-25-14-13-20(16-23(25)29(31)32)19(3)26(30)28-15-9-8-10-21(28)17-27(4)5/h6-7,11-14,16,18,21H,3,8-10,15,17H2,1-2,4-5H3