1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethylsulfanyl)butan-1-one

Systemtic Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethylsulfanyl)butan-1-one Openeye Name: 4-benzylsulfanyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylmethylthio)-1-butanone IUPAC Name: 4-benzylsulfanyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(benzylthio)-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C24H29N3OS2 MolecularWeight: 439.63656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)CCCSCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)CCCSCC4=CC=CC=C4)C

InChI

InChI=1S/C24H29N3OS2/c1-18-15-19(2)23-21(16-18)25-24(30-23)27-12-10-26(11-13-27)22(28)9-6-14-29-17-20-7-4-3-5-8-20/h3-5,7-8,15-16H,6,9-14,17H2,1-2H3