2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-(4-p-phenetylsulfonylpiperazino)ethanone Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O4S3/c1-2-28-16-7-9-17(10-8-16)31(26,27)24-13-11-23(12-14-24)20(25)15-29-21-22-18-5-3-4-6-19(18)30-21/h3-10H,2,11-15H2,1H3