1-[4-[(5-methyl-1,2-benzothiazol-3-yl)carbonyl]piperazin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[4-[(5-methyl-1,2-benzothiazol-3-yl)carbonyl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[(5-methyl-1,2-benzothiazol-3-yl)-oxomethyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazino]-2-phenyl-butan-1-one Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)C3=NSC4=C3C=C(C=C4)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)C3=NSC4=C3C=C(C=C4)C

InChI

InChI=1S/C23H25N3O2S/c1-3-18(17-7-5-4-6-8-17)22(27)25-11-13-26(14-12-25)23(28)21-19-15-16(2)9-10-20(19)29-24-21/h4-10,15,18H,3,11-14H2,1-2H3