(4-tert-butylphenyl)-[2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone Openeye Name: [4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazin-1-yl]-(4-tert-butylphenyl)methanone CAS Name: (4-tert-butylphenyl)-[2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinyl]methanone IUPAC Name: [4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methylpiperazin-1-yl]-(4-tert-butylphenyl)methanone Traditional Name: [4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazino]-(4-tert-butylphenyl)methanone Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC(=NS3)CC4=CC=CC=C4

InChI

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