2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(2,4-dichlorobenzoyl)piperazino]ethanone Formula: C20H17Cl2N3O3S MolecularWeight: 450.33828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3O2)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3O2)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H17Cl2N3O3S/c21-13-5-6-14(15(22)11-13)19(27)25-9-7-24(8-10-25)18(26)12-29-20-23-16-3-1-2-4-17(16)28-20/h1-6,11H,7-10,12H2