1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethylsulfanyl)butan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethylsulfanyl)butan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-benzylsulfanyl-butan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylmethylthio)-1-butanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-benzylsulfanylbutan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-4-(benzylthio)butan-1-one Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCCSCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3OS2/c26-21(11-6-16-27-17-18-7-2-1-3-8-18)24-12-14-25(15-13-24)22-23-19-9-4-5-10-20(19)28-22/h1-5,7-10H,6,11-17H2