(3-butoxyphenyl)-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (3-butoxyphenyl)-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3-butoxyphenyl)-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (3-butoxyphenyl)-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3-butoxyphenyl)-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (3-butoxyphenyl)-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=C(C=C4S3)C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=C(C=C4S3)C)C

InChI

InChI=1S/C24H29N3O2S/c1-4-5-13-29-20-8-6-7-19(16-20)23(28)26-9-11-27(12-10-26)24-25-22-18(3)14-17(2)15-21(22)30-24/h6-8,14-16H,4-5,9-13H2,1-3H3