[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-ethylsulfanylphenyl)methanone

Systemtic Name: [4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-ethylsulfanylphenyl)methanone Openeye Name: [4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-ethylsulfanylphenyl)methanone CAS Name: [4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-[3-(ethylthio)phenyl]methanone IUPAC Name: [4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-ethylsulfanylphenyl)methanone Traditional Name: [4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazino]-[3-(ethylthio)phenyl]methanone Formula: C21H22ClN3OS2 MolecularWeight: 432.00188

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4C)Cl

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4C)Cl

InChI

InChI=1S/C21H22ClN3OS2/c1-3-27-16-6-4-5-15(13-16)20(26)24-9-11-25(12-10-24)21-23-19-14(2)17(22)7-8-18(19)28-21/h4-8,13H,3,9-12H2,1-2H3