2-(1,3-benzothiazol-2-ylmethyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethyl-butan-1-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethyl-butan-1-one Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethyl-butan-1-one CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-ethyl-1-butanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylbutan-1-one Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-1-[4-(2,3-dimethylphenyl)piperazino]-2-ethyl-butan-1-one Formula: C26H33N3OS MolecularWeight: 435.62472

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C26H33N3OS/c1-5-26(6-2,18-24-27-21-11-7-8-13-23(21)31-24)25(30)29-16-14-28(15-17-29)22-12-9-10-19(3)20(22)4/h7-13H,5-6,14-18H2,1-4H3