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

Systemtic Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(3-m-anisyl-1,2,4-thiadiazol-5-yl)piperazino]-2-phenyl-butan-1-one Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC(=NS3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC(=NS3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C24H28N4O2S/c1-3-21(19-9-5-4-6-10-19)23(29)27-12-14-28(15-13-27)24-25-22(26-31-24)17-18-8-7-11-20(16-18)30-2/h4-11,16,21H,3,12-15,17H2,1-2H3