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

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-piperidyl]-(3-bromo-4-ethoxy-5-methoxy-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperidino]-(3-bromo-4-ethoxy-5-methoxy-phenyl)methanone Formula: C22H23BrN2O3S MolecularWeight: 475.39862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H23BrN2O3S/c1-3-28-20-16(23)12-15(13-18(20)27-2)22(26)25-10-8-14(9-11-25)21-24-17-6-4-5-7-19(17)29-21/h4-7,12-14H,3,8-11H2,1-2H3