1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-4-(5-chloranylthiophen-2-yl)butane-1,4-dione

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-4-(5-chloranylthiophen-2-yl)butane-1,4-dione Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-4-(5-chloro-2-thienyl)butane-1,4-dione CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-4-(5-chloro-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-4-(5-chlorothiophen-2-yl)butane-1,4-dione Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-4-(5-chloro-2-thienyl)butane-1,4-dione Formula: C20H20ClN3O2S2 MolecularWeight: 433.9747

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)CCC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)CCC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H20ClN3O2S2/c21-18-7-6-17(27-18)15(25)5-8-20(26)24-11-9-23(10-12-24)13-19-22-14-3-1-2-4-16(14)28-19/h1-4,6-7H,5,8-13H2