3-[[[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[(2-benzylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[(2-benzylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[[2-(benzylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-benzoxazole-2-thione Formula: C22H17N3OS3 MolecularWeight: 435.58488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NCN4C5=CC=CC=C5OC4=S

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NCN4C5=CC=CC=C5OC4=S

InChI

InChI=1S/C22H17N3OS3/c27-22-25(18-8-4-5-9-19(18)26-22)14-23-16-10-11-17-20(12-16)29-21(24-17)28-13-15-6-2-1-3-7-15/h1-12,23H,13-14H2