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

Systemtic Name: (3-ethylsulfanylphenyl)-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3-ethylsulfanylphenyl)-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [3-(ethylthio)phenyl]-[4-(4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3-ethylsulfanylphenyl)-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [3-(ethylthio)phenyl]-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c1-3-27-16-7-4-6-15(14-16)20(25)23-10-12-24(13-11-23)21-22-19-17(26-2)8-5-9-18(19)28-21/h4-9,14H,3,10-13H2,1-2H3