4-(4-methoxyphenyl)sulfanyl-1-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-1-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfanyl-butan-1-one CAS Name: 4-[(4-methoxyphenyl)thio]-1-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-1-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazino]-4-[(4-methoxyphenyl)thio]butan-1-one Formula: C25H31N3O2S2 MolecularWeight: 469.66254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H31N3O2S2/c1-18(2)21-6-4-7-22-24(21)26-25(32-22)28-15-13-27(14-16-28)23(29)8-5-17-31-20-11-9-19(30-3)10-12-20/h4,6-7,9-12,18H,5,8,13-17H2,1-3H3