methyl N-(1,3-benzothiazol-2-yl)-N'-propan-2-yl-carbamimidothioate

Systemtic Name: methyl N-(1,3-benzothiazol-2-yl)-N'-propan-2-yl-carbamimidothioate Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-isopropyl-2-methyl-isothiourea CAS Name: N-(1,3-benzothiazol-2-yl)-N'-propan-2-ylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(1,3-benzothiazol-2-yl)-N'-propan-2-ylcarbamimidothioate Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-isopropyl-2-methyl-isothiourea Formula: C12H15N3S2 MolecularWeight: 265.3976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(NC1=NC2=CC=CC=C2S1)SC

Isomeric SMILES

CC(C)N=C(NC1=NC2=CC=CC=C2S1)SC

InChI

InChI=1S/C12H15N3S2/c1-8(2)13-11(16-3)15-12-14-9-6-4-5-7-10(9)17-12/h4-8H,1-3H3,(H,13,14,15)