3-[(3-methoxyphenyl)methyl]-5-(4-naphthalen-1-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole

Systemtic Name: 3-[(3-methoxyphenyl)methyl]-5-(4-naphthalen-1-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Openeye Name: 3-[(3-methoxyphenyl)methyl]-5-[4-(1-naphthylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole CAS Name: 3-[(3-methoxyphenyl)methyl]-5-[4-(1-naphthalenylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole IUPAC Name: 3-[(3-methoxyphenyl)methyl]-5-(4-naphthalen-1-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Traditional Name: 3-m-anisyl-5-[4-(1-naphthylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole Formula: C25H26N4O3S2 MolecularWeight: 494.62894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=NSC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC(=C1)CC2=NSC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H26N4O3S2/c1-32-21-10-4-7-19(17-21)18-24-26-25(33-27-24)28-13-6-14-29(16-15-28)34(30,31)23-12-5-9-20-8-2-3-11-22(20)23/h2-5,7-12,17H,6,13-16,18H2,1H3