[(3S)-3-methyl-2H-1,4-benzoxathiin-3-yl]methyl carbamimidothioate

Systemtic Name: [(3S)-3-methyl-2H-1,4-benzoxathiin-3-yl]methyl carbamimidothioate Openeye Name: 2-[[(3S)-3-methyl-2H-1,4-benzoxathiin-3-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [(3S)-3-methyl-2H-1,4-benzoxathiin-3-yl]methyl ester IUPAC Name: [(3S)-3-methyl-2H-1,4-benzoxathiin-3-yl]methyl carbamimidothioate Traditional Name: 2-[[(3S)-3-methyl-2H-1,4-benzoxathiin-3-yl]methyl]isothiourea Formula: C11H14N2OS2 MolecularWeight: 254.37166

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=CC=CC=C2S1)CSC(=N)N

Isomeric SMILES

C[C@]1(COC2=CC=CC=C2S1)CSC(=N)N

InChI

InChI=1S/C11H14N2OS2/c1-11(7-15-10(12)13)6-14-8-4-2-3-5-9(8)16-11/h2-5H,6-7H2,1H3,(H3,12,13)/t11-/m0/s1