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

Systemtic Name: 2-[[4-(4-butoxyphenyl)carbonylpiperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(4-butoxybenzoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-[(4-butoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(4-butoxybenzoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[[4-(4-butoxybenzoyl)piperazino]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=C(S3)C(=O)CCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=C(S3)C(=O)CCC4

InChI

InChI=1S/C23H29N3O3S/c1-2-3-15-29-18-9-7-17(8-10-18)23(28)26-13-11-25(12-14-26)16-21-24-19-5-4-6-20(27)22(19)30-21/h7-10H,2-6,11-16H2,1H3