5-morpholin-4-ylsulfonyl-3-[[(phenylmethyl)-propyl-amino]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 5-morpholin-4-ylsulfonyl-3-[[(phenylmethyl)-propyl-amino]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[benzyl(propyl)amino]methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione CAS Name: 5-(4-morpholinylsulfonyl)-3-[[(phenylmethyl)-propylamino]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[benzyl(propyl)amino]methyl]-5-morpholin-4-ylsulfonyl-1,3-benzoxazole-2-thione Traditional Name: 3-[[benzyl(propyl)amino]methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

Isomeric SMILES

CCCN(CC1=CC=CC=C1)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

InChI

InChI=1S/C22H27N3O4S2/c1-2-10-23(16-18-6-4-3-5-7-18)17-25-20-15-19(8-9-21(20)29-22(25)30)31(26,27)24-11-13-28-14-12-24/h3-9,15H,2,10-14,16-17H2,1H3