3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione Openeye Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione CAS Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione IUPAC Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione Traditional Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-5-esyl-1,3-benzoxazole-2-thione Formula: C19H19N3O3S3 MolecularWeight: 433.56746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN(C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN(C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N3O3S3/c1-3-28(23,24)13-8-9-16-15(10-13)22(19(26)25-16)12-21(2)11-18-20-14-6-4-5-7-17(14)27-18/h4-10H,3,11-12H2,1-2H3