4-(4-butylpiperidin-1-yl)-1-(2-sulfanylphenyl)butan-1-one

Systemtic Name: 4-(4-butylpiperidin-1-yl)-1-(2-sulfanylphenyl)butan-1-one Openeye Name: 4-(4-butyl-1-piperidyl)-1-(2-sulfanylphenyl)butan-1-one CAS Name: 4-(4-butyl-1-piperidinyl)-1-(2-mercaptophenyl)-1-butanone IUPAC Name: 4-(4-butylpiperidin-1-yl)-1-(2-sulfanylphenyl)butan-1-one Traditional Name: 4-(4-butylpiperidino)-1-(2-mercaptophenyl)butan-1-one Formula: C19H29NOS MolecularWeight: 319.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCN(CC1)CCCC(=O)C2=CC=CC=C2S

Isomeric SMILES

CCCCC1CCN(CC1)CCCC(=O)C2=CC=CC=C2S

InChI

InChI=1S/C19H29NOS/c1-2-3-7-16-11-14-20(15-12-16)13-6-9-18(21)17-8-4-5-10-19(17)22/h4-5,8,10,16,22H,2-3,6-7,9,11-15H2,1H3