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

Systemtic Name: 2-[[4-(3-methylphenyl)carbonylpiperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[(4-m-toluoylpiperazino)methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-14-4-2-5-15(12-14)20(25)23-10-8-22(9-11-23)13-18-21-16-6-3-7-17(24)19(16)26-18/h2,4-5,12H,3,6-11,13H2,1H3