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

Systemtic Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(3-m-anisyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazino]-2-phenyl-butan-1-one Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2C)C3=NC(=NS3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2C)C3=NC(=NS3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H30N4O2S/c1-4-22(20-10-6-5-7-11-20)24(30)29-14-13-28(17-18(29)2)25-26-23(27-32-25)16-19-9-8-12-21(15-19)31-3/h5-12,15,18,22H,4,13-14,16-17H2,1-3H3