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

Systemtic Name: [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-ethylsulfanylphenyl)methanone Openeye Name: [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-ethylsulfanylphenyl)methanone CAS Name: [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-[3-(ethylthio)phenyl]methanone IUPAC Name: [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-ethylsulfanylphenyl)methanone Traditional Name: [4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]-[3-(ethylthio)phenyl]methanone Formula: C22H25N3OS2 MolecularWeight: 411.5834

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS2/c1-4-27-18-7-5-6-17(14-18)21(26)24-10-12-25(13-11-24)22-23-20-16(3)15(2)8-9-19(20)28-22/h5-9,14H,4,10-13H2,1-3H3