[4-[1-(3,4-dihydro-2H-thiochromen-6-yl)-1-oxidanyl-propan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[1-(3,4-dihydro-2H-thiochromen-6-yl)-1-oxidanyl-propan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: 2-furyl-[4-(2-hydroxy-1-methyl-2-thiochroman-6-yl-ethyl)piperazin-1-yl]methanone CAS Name: [4-[1-(3,4-dihydro-2H-1-benzothiopyran-6-yl)-1-hydroxypropan-2-yl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[1-(3,4-dihydro-2H-thiochromen-6-yl)-1-hydroxypropan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: 2-furyl-[4-(2-hydroxy-1-methyl-2-thiochroman-6-yl-ethyl)piperazino]methanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC2=C(C=C1)SCCC2)O)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC(C(C1=CC2=C(C=C1)SCCC2)O)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H26N2O3S/c1-15(20(24)17-6-7-19-16(14-17)4-3-13-27-19)22-8-10-23(11-9-22)21(25)18-5-2-12-26-18/h2,5-7,12,14-15,20,24H,3-4,8-11,13H2,1H3