5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]azepan-2-one

Systemtic Name: 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]azepan-2-one Openeye Name: 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(p-tolylmethyl)azepan-2-one CAS Name: 5-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-1-[(4-methylphenyl)methyl]-2-azepanone IUPAC Name: 5-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]azepan-2-one Traditional Name: 5-[4-(1,3-benzothiazol-2-yl)piperazino]-1-(4-methylbenzyl)azepan-2-one Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CCC2=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC(CCC2=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H30N4OS/c1-19-6-8-20(9-7-19)18-29-13-12-21(10-11-24(29)30)27-14-16-28(17-15-27)25-26-22-4-2-3-5-23(22)31-25/h2-9,21H,10-18H2,1H3