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

Systemtic Name: 1-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[2-methyl-4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[2-methyl-4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]piperazino]-2-phenyl-butan-1-one Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4OS/c1-4-22(21-8-6-5-7-9-21)24(30)29-15-14-28(17-19(29)3)25-26-23(27-31-25)16-20-12-10-18(2)11-13-20/h5-13,19,22H,4,14-17H2,1-3H3