4-[4-[3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-oxidanyl-propoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-oxidanyl-propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[2-hydroxy-3-(thiochroman-4-ylamino)propoxy]phenyl]butan-2-one CAS Name: 4-[4-[3-(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)-2-hydroxypropoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-hydroxypropoxy]phenyl]butan-2-one Traditional Name: 4-[4-[2-hydroxy-3-(thiochroman-4-ylamino)propoxy]phenyl]butan-2-one Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC(CNC2CCSC3=CC=CC=C23)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCC(CNC2CCSC3=CC=CC=C23)O

InChI

InChI=1S/C22H27NO3S/c1-16(24)6-7-17-8-10-19(11-9-17)26-15-18(25)14-23-21-12-13-27-22-5-3-2-4-20(21)22/h2-5,8-11,18,21,23,25H,6-7,12-15H2,1H3