5-chloranyl-3-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]-1,3-benzothiazol-2-one

Systemtic Name: 5-chloranyl-3-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]-1,3-benzothiazol-2-one Openeye Name: 3-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-5-chloro-1,3-benzothiazol-2-one CAS Name: 5-chloro-3-[3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-chloro-1,3-benzothiazol-2-one Traditional Name: 3-[3-(4-benzylpiperazino)-3-keto-propyl]-5-chloro-1,3-benzothiazol-2-one Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN3C4=C(C=CC(=C4)Cl)SC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN3C4=C(C=CC(=C4)Cl)SC3=O

InChI

InChI=1S/C21H22ClN3O2S/c22-17-6-7-19-18(14-17)25(21(27)28-19)9-8-20(26)24-12-10-23(11-13-24)15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2