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

Systemtic Name: 1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one Openeye Name: 3-phenyl-1-[4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C24H28N4OS/c1-19-8-10-21(11-9-19)18-22-25-24(30-26-22)28-15-5-14-27(16-17-28)23(29)13-12-20-6-3-2-4-7-20/h2-4,6-11H,5,12-18H2,1H3