1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylphenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylphenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(p-tolylsulfanyl)propan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-3-[(4-methylphenyl)thio]-1-propanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-3-(p-tolylthio)propan-1-one Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3OS2/c1-16-6-8-17(9-7-16)26-15-10-20(25)23-11-13-24(14-12-23)21-22-18-4-2-3-5-19(18)27-21/h2-9H,10-15H2,1H3