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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-5-(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Openeye Name: 3-[(4-chlorophenyl)methyl]-5-[4-(8-quinolylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole CAS Name: 3-[(4-chlorophenyl)methyl]-5-[4-(8-quinolinylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole IUPAC Name: 3-[(4-chlorophenyl)methyl]-5-(4-quinolin-8-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Traditional Name: 3-(4-chlorobenzyl)-5-[4-(8-quinolylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole Formula: C23H22ClN5O2S2 MolecularWeight: 500.03608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=NC(=NS4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=NC(=NS4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H22ClN5O2S2/c24-19-9-7-17(8-10-19)16-21-26-23(32-27-21)28-12-3-13-29(15-14-28)33(30,31)20-6-1-4-18-5-2-11-25-22(18)20/h1-2,4-11H,3,12-16H2