3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethyl]-1-methyl-1-oxidanyl-urea

Systemtic Name: 3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethyl]-1-methyl-1-oxidanyl-urea Openeye Name: 3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethyl]-1-hydroxy-1-methyl-urea CAS Name: 3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]ethyl]-1-hydroxy-1-methylurea IUPAC Name: 3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethyl]-1-hydroxy-1-methylurea Traditional Name: 3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]ethyl]-1-hydroxy-1-methyl-urea Formula: C13H17N3O3S2 MolecularWeight: 327.42238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCCNC(=O)N(C)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCCNC(=O)N(C)O

InChI

InChI=1S/C13H17N3O3S2/c1-3-19-9-4-5-10-11(8-9)21-13(15-10)20-7-6-14-12(17)16(2)18/h4-5,8,18H,3,6-7H2,1-2H3,(H,14,17)