2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone hydrochloride

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone hydrochloride Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(1-ethylpropyl)piperazin-1-yl]ethanone hydrochloride CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(4-pentan-3-yl-1-piperazinyl)ethanone hydrochloride IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone hydrochloride Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-[4-(1-ethylpropyl)piperazino]ethanone hydrochloride Formula: C18H25Cl2N3OS2 MolecularWeight: 434.4466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCN(CC1)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl.Cl

Isomeric SMILES

CCC(CC)N1CCN(CC1)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl.Cl

InChI

InChI=1S/C18H24ClN3OS2.ClH/c1-3-14(4-2)21-7-9-22(10-8-21)17(23)12-24-18-20-15-11-13(19)5-6-16(15)25-18;/h5-6,11,14H,3-4,7-10,12H2,1-2H3;1H