[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone

Systemtic Name: [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone Openeye Name: [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone CAS Name: [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone IUPAC Name: [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone Traditional Name: [4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]-[2-(ethylthio)phenyl]methanone Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C(=C4)C)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C(=C4)C)C

InChI

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