1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanyl-propan-1-one CAS Name: 1-[4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(phenylthio)-1-propanone IUPAC Name: 1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one Traditional Name: 1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazino]-3-(phenylthio)propan-1-one Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4

InChI

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