(2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(1-methyl-2-imidazolyl)thio]propanamide IUPAC Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(1-methylimidazol-2-yl)thio]propionamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)SC4=NC=CN4C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)[C@H](C)SC4=NC=CN4C

InChI

InChI=1S/C21H20N4OS2/c1-13-4-9-17-18(12-13)28-20(24-17)15-5-7-16(8-6-15)23-19(26)14(2)27-21-22-10-11-25(21)3/h4-12,14H,1-3H3,(H,23,26)/t14-/m0/s1