2-[[4-[2-(3-methylphenyl)ethanoyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one

Systemtic Name: 2-[[4-[2-(3-methylphenyl)ethanoyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-[2-(m-tolyl)acetyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-[2-(3-methylphenyl)-1-oxoethyl]-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[[4-[2-(m-tolyl)acetyl]piperazino]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)N2CCN(CC2)CC3=NC4=C(S3)C(=O)CCC4

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)N2CCN(CC2)CC3=NC4=C(S3)C(=O)CCC4

InChI

InChI=1S/C21H25N3O2S/c1-15-4-2-5-16(12-15)13-20(26)24-10-8-23(9-11-24)14-19-22-17-6-3-7-18(25)21(17)27-19/h2,4-5,12H,3,6-11,13-14H2,1H3