(4-butylcyclohexyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (4-butylcyclohexyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (4-butylcyclohexyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (4-butylcyclohexyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (4-butylcyclohexyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (4-butylcyclohexyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C24H35N3O2S MolecularWeight: 429.6186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)OCC

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)OCC

InChI

InChI=1S/C24H35N3O2S/c1-3-5-7-18-10-12-19(13-11-18)23(28)26-14-16-27(17-15-26)24-25-22-20(29-4-2)8-6-9-21(22)30-24/h6,8-9,18-19H,3-5,7,10-17H2,1-2H3