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

Systemtic Name: (3-ethylsulfanylphenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3-ethylsulfanylphenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [3-(ethylthio)phenyl]-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3-ethylsulfanylphenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [3-(ethylthio)phenyl]-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S2/c1-4-28-17-7-5-6-16(14-17)21(26)24-10-12-25(13-11-24)22-23-19-18(27-3)9-8-15(2)20(19)29-22/h5-9,14H,4,10-13H2,1-3H3