2-[[4-(2-ethylsulfanylphenyl)carbonylpiperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one

Systemtic Name: 2-[[4-(2-ethylsulfanylphenyl)carbonylpiperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(2-ethylsulfanylbenzoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-[[2-(ethylthio)phenyl]-oxomethyl]-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(2-ethylsulfanylbenzoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[[4-[2-(ethylthio)benzoyl]piperazino]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=NC4=C(S3)C(=O)CCC4

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=NC4=C(S3)C(=O)CCC4

InChI

InChI=1S/C21H25N3O2S2/c1-2-27-18-9-4-3-6-15(18)21(26)24-12-10-23(11-13-24)14-19-22-16-7-5-8-17(25)20(16)28-19/h3-4,6,9H,2,5,7-8,10-14H2,1H3