2-[4-(4-phenyl-1-propyl-3,4-dihydroisochromen-1-yl)piperazin-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-(4-phenyl-1-propyl-3,4-dihydroisochromen-1-yl)piperazin-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-(4-phenyl-1-propyl-isochroman-1-yl)piperazin-1-yl]-1,3-benzothiazole CAS Name: 2-[4-(4-phenyl-1-propyl-3,4-dihydro-1H-2-benzopyran-1-yl)-1-piperazinyl]-1,3-benzothiazole IUPAC Name: 2-[4-(4-phenyl-1-propyl-3,4-dihydroisochromen-1-yl)piperazin-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-(4-phenyl-1-propyl-isochroman-1-yl)piperazino]-1,3-benzothiazole Formula: C29H31N3OS MolecularWeight: 469.64094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=CC=CC=C2C(CO1)C3=CC=CC=C3)N4CCN(CC4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

CCCC1(C2=CC=CC=C2C(CO1)C3=CC=CC=C3)N4CCN(CC4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C29H31N3OS/c1-2-16-29(25-13-7-6-12-23(25)24(21-33-29)22-10-4-3-5-11-22)32-19-17-31(18-20-32)28-30-26-14-8-9-15-27(26)34-28/h3-15,24H,2,16-21H2,1H3