[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-butoxy-3-chloranyl-5-methoxy-phenyl)methanone

Systemtic Name: [3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-butoxy-3-chloranyl-5-methoxy-phenyl)methanone Openeye Name: [3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-butoxy-3-chloro-5-methoxy-phenyl)methanone CAS Name: [3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(4-butoxy-3-chloro-5-methoxyphenyl)methanone IUPAC Name: [3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-butoxy-3-chloro-5-methoxyphenyl)methanone Traditional Name: [3-(1,3-benzothiazol-2-yl)piperidino]-(4-butoxy-3-chloro-5-methoxy-phenyl)methanone Formula: C24H27ClN2O3S MolecularWeight: 459.00078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C24H27ClN2O3S/c1-3-4-12-30-22-18(25)13-17(14-20(22)29-2)24(28)27-11-7-8-16(15-27)23-26-19-9-5-6-10-21(19)31-23/h5-6,9-10,13-14,16H,3-4,7-8,11-12,15H2,1-2H3