2-azanylpropanamide; 4-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-methyl-aniline; hydrochloride

Systemtic Name: 2-azanylpropanamide; 4-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-methyl-aniline; hydrochloride Openeye Name: 2-aminopropanamide; 4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-aniline; hydrochloride CAS Name: 2-aminopropanamide; 4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylaniline; hydrochloride IUPAC Name: 2-aminopropanamide; 4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylaniline; hydrochloride Traditional Name: 2-aminopropionamide; [4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-phenyl]amine; hydrochloride Formula: C17H20ClFN4OS MolecularWeight: 382.883303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)F)N.CC(C(=O)N)N.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)F)N.CC(C(=O)N)N.Cl

InChI

InChI=1S/C14H11FN2S.C3H8N2O.ClH/c1-8-6-9(2-4-11(8)16)14-17-12-5-3-10(15)7-13(12)18-14;1-2(4)3(5)6;/h2-7H,16H2,1H3;2H,4H2,1H3,(H2,5,6);1H