3-chloranyl-1-(2-methyl-1,3-benzothiazol-6-yl)-4-[1-(phenylmethyl)piperidin-4-yl]butan-1-one

Systemtic Name: 3-chloranyl-1-(2-methyl-1,3-benzothiazol-6-yl)-4-[1-(phenylmethyl)piperidin-4-yl]butan-1-one Openeye Name: 4-(1-benzyl-4-piperidyl)-3-chloro-1-(2-methyl-1,3-benzothiazol-6-yl)butan-1-one CAS Name: 3-chloro-1-(2-methyl-1,3-benzothiazol-6-yl)-4-[1-(phenylmethyl)-4-piperidinyl]-1-butanone IUPAC Name: 4-(1-benzylpiperidin-4-yl)-3-chloro-1-(2-methyl-1,3-benzothiazol-6-yl)butan-1-one Traditional Name: 4-(1-benzyl-4-piperidyl)-3-chloro-1-(2-methyl-1,3-benzothiazol-6-yl)butan-1-one Formula: C24H27ClN2OS MolecularWeight: 427.00198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)C(=O)CC(CC3CCN(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)C(=O)CC(CC3CCN(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H27ClN2OS/c1-17-26-22-8-7-20(14-24(22)29-17)23(28)15-21(25)13-18-9-11-27(12-10-18)16-19-5-3-2-4-6-19/h2-8,14,18,21H,9-13,15-16H2,1H3