1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-chlorophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-chlorophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-(4-chlorophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-[(4-chlorophenyl)thio]-1-propanone IUPAC Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-chlorophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(1,3-benzoxazol-2-yl)piperidino]-2-[(4-chlorophenyl)thio]propan-1-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3O2)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3O2)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-14(27-17-8-6-16(22)7-9-17)21(25)24-12-10-15(11-13-24)20-23-18-4-2-3-5-19(18)26-20/h2-9,14-15H,10-13H2,1H3