7-[4-[2-(5-chloranyl-1-benzothiophen-3-yl)ethyl]piperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one

Systemtic Name: 7-[4-[2-(5-chloranyl-1-benzothiophen-3-yl)ethyl]piperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one Openeye Name: 7-[4-[2-(5-chlorobenzothiophen-3-yl)ethyl]piperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one CAS Name: 7-[4-[2-(5-chloro-1-benzothiophen-3-yl)ethyl]-1-piperazinyl]-3-methyl-1,3-benzoxazol-2-one IUPAC Name: 7-[4-[2-(5-chloro-1-benzothiophen-3-yl)ethyl]piperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one Traditional Name: 7-[4-[2-(5-chlorobenzothiophen-3-yl)ethyl]piperazino]-3-methyl-1,3-benzoxazol-2-one Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC=C2)N3CCN(CC3)CCC4=CSC5=C4C=C(C=C5)Cl)OC1=O

Isomeric SMILES

CN1C2=C(C(=CC=C2)N3CCN(CC3)CCC4=CSC5=C4C=C(C=C5)Cl)OC1=O

InChI

InChI=1S/C22H22ClN3O2S/c1-24-18-3-2-4-19(21(18)28-22(24)27)26-11-9-25(10-12-26)8-7-15-14-29-20-6-5-16(23)13-17(15)20/h2-6,13-14H,7-12H2,1H3