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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(phenylcarbonyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-benzoylpiperazin-1-yl)butan-1-one CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1-(4-benzoyl-1-piperazinyl)-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-benzoylpiperazin-1-yl)butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1-(4-benzoylpiperazino)butan-1-one Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S2/c26-20(11-6-16-28-22-23-18-9-4-5-10-19(18)29-22)24-12-14-25(15-13-24)21(27)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2