[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfanylphenyl)methanone

Systemtic Name: [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfanylphenyl)methanone Openeye Name: [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfanylphenyl)methanone CAS Name: [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-[4-(ethylthio)phenyl]methanone IUPAC Name: [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfanylphenyl)methanone Traditional Name: [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazino]-[4-(ethylthio)phenyl]methanone Formula: C22H25N3OS2 MolecularWeight: 411.5834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC(=C4S3)C)C

Isomeric SMILES

CCSC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC(=C4S3)C)C

InChI

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