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

Systemtic Name: 3,3-dimethyl-1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]butan-1-one Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)C(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)C(=O)CC(C)(C)C

InChI

InChI=1S/C21H30N4OS/c1-16-6-8-17(9-7-16)14-18-22-20(27-23-18)25-11-5-10-24(12-13-25)19(26)15-21(2,3)4/h6-9H,5,10-15H2,1-4H3