4-[4-(2-methylsulfanylxanthen-9-ylidene)piperidin-1-yl]butan-2-one

Systemtic Name: 4-[4-(2-methylsulfanylxanthen-9-ylidene)piperidin-1-yl]butan-2-one Openeye Name: 4-[4-(2-methylsulfanylxanthen-9-ylidene)-1-piperidyl]butan-2-one CAS Name: 4-[4-[2-(methylthio)-9-xanthenylidene]-1-piperidinyl]-2-butanone IUPAC Name: 4-[4-(2-methylsulfanylxanthen-9-ylidene)piperidin-1-yl]butan-2-one Traditional Name: 4-[4-[2-(methylthio)xanthen-9-ylidene]piperidino]butan-2-one Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1CCC(=C2C3=CC=CC=C3OC4=C2C=C(C=C4)SC)CC1

Isomeric SMILES

CC(=O)CCN1CCC(=C2C3=CC=CC=C3OC4=C2C=C(C=C4)SC)CC1

InChI

InChI=1S/C23H25NO2S/c1-16(25)9-12-24-13-10-17(11-14-24)23-19-5-3-4-6-21(19)26-22-8-7-18(27-2)15-20(22)23/h3-8,15H,9-14H2,1-2H3