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

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-bromanyl-5-methoxy-4-propoxy-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-piperidyl]-(3-bromo-5-methoxy-4-propoxy-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(3-bromo-5-methoxy-4-propoxyphenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-bromo-5-methoxy-4-propoxyphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperidino]-(3-bromo-5-methoxy-4-propoxy-phenyl)methanone Formula: C23H25BrN2O3S MolecularWeight: 489.4252

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C23H25BrN2O3S/c1-3-12-29-21-17(24)13-16(14-19(21)28-2)23(27)26-10-8-15(9-11-26)22-25-18-6-4-5-7-20(18)30-22/h4-7,13-15H,3,8-12H2,1-2H3