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

Systemtic Name: 3-[3-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-5-chloranyl-1,3-benzothiazol-2-one Openeye Name: 3-[3-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-5-chloro-1,3-benzothiazol-2-one CAS Name: 3-[3-[4-(1,3-benzodioxol-4-ylmethyl)-1-piperazinyl]-3-oxopropyl]-5-chloro-1,3-benzothiazol-2-one IUPAC Name: 3-[3-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]-3-oxopropyl]-5-chloro-1,3-benzothiazol-2-one Traditional Name: 3-[3-[4-(1,3-benzodioxol-4-ylmethyl)piperazino]-3-keto-propyl]-5-chloro-1,3-benzothiazol-2-one Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C(=CC=C2)OCO3)C(=O)CCN4C5=C(C=CC(=C5)Cl)SC4=O

Isomeric SMILES

C1CN(CCN1CC2=C3C(=CC=C2)OCO3)C(=O)CCN4C5=C(C=CC(=C5)Cl)SC4=O

InChI

InChI=1S/C22H22ClN3O4S/c23-16-4-5-19-17(12-16)26(22(28)31-19)7-6-20(27)25-10-8-24(9-11-25)13-15-2-1-3-18-21(15)30-14-29-18/h1-5,12H,6-11,13-14H2