3-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-ylthio)-1-[4-(4-methoxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-1-[4-(4-methoxyphenyl)piperazino]propan-1-one Formula: C21H23N3O2S2 MolecularWeight: 413.55622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O2S2/c1-26-17-8-6-16(7-9-17)23-11-13-24(14-12-23)20(25)10-15-27-21-22-18-4-2-3-5-19(18)28-21/h2-9H,10-15H2,1H3