3-[(4-methylphenyl)methyl]-5-(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole

Systemtic Name: 3-[(4-methylphenyl)methyl]-5-(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Openeye Name: 3-(p-tolylmethyl)-5-[4-(8-quinolylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole CAS Name: 3-[(4-methylphenyl)methyl]-5-[4-(8-quinolinylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole IUPAC Name: 3-[(4-methylphenyl)methyl]-5-(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Traditional Name: 3-(4-methylbenzyl)-5-[4-(8-quinolylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole Formula: C24H25N5O2S2 MolecularWeight: 479.6176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C24H25N5O2S2/c1-18-8-10-19(11-9-18)17-22-26-24(32-27-22)28-13-4-14-29(16-15-28)33(30,31)21-7-2-5-20-6-3-12-25-23(20)21/h2-3,5-12H,4,13-17H2,1H3