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

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-butoxy-3-ethoxy-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-butoxy-3-ethoxy-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(4-butoxy-3-ethoxyphenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-butoxy-3-ethoxyphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperidino]-(4-butoxy-3-ethoxy-phenyl)methanone Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OCC

InChI

InChI=1S/C25H30N2O3S/c1-3-5-16-30-21-11-10-19(17-22(21)29-4-2)25(28)27-14-12-18(13-15-27)24-26-20-8-6-7-9-23(20)31-24/h6-11,17-18H,3-5,12-16H2,1-2H3