4-(1,3-benzothiazol-2-yl)-1-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-(4-m-anisoylpiperazino)butan-1-one Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O3S/c1-29-18-7-4-6-17(16-18)23(28)26-14-12-25(13-15-26)22(27)11-5-10-21-24-19-8-2-3-9-20(19)30-21/h2-4,6-9,16H,5,10-15H2,1H3