N'-propan-2-yl-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,3-benzothiazole-6-carboximidamide dihydrochloride

Systemtic Name: N'-propan-2-yl-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,3-benzothiazole-6-carboximidamide dihydrochloride Openeye Name: N'-isopropyl-2-[4-(N'-isopropylcarbamimidoyl)phenyl]-1,3-benzothiazole-6-carboxamidine dihydrochloride CAS Name: 2-[4-[amino(propan-2-ylimino)methyl]phenyl]-N'-propan-2-yl-1,3-benzothiazole-6-carboximidamide dihydrochloride IUPAC Name: N'-propan-2-yl-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1,3-benzothiazole-6-carboximidamide dihydrochloride Traditional Name: N'-isopropyl-2-[4-(N'-isopropylamidino)phenyl]-1,3-benzothiazole-6-carboxamidine dihydrochloride Formula: C21H27Cl2N5S MolecularWeight: 452.44358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=NC(C)C)N)N.Cl.Cl

Isomeric SMILES

CC(C)N=C(C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=NC(C)C)N)N.Cl.Cl

InChI

InChI=1S/C21H25N5S.2ClH/c1-12(2)24-19(22)14-5-7-15(8-6-14)21-26-17-10-9-16(11-18(17)27-21)20(23)25-13(3)4;;/h5-13H,1-4H3,(H2,22,24)(H2,23,25);2*1H