(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(6-methyl-4-pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: (2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(6-methylpyrimidin-4-yl)thio]propionamide Formula: C16H16N4OS2 MolecularWeight: 344.45444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=NC=NC(=C3)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](C)SC3=NC=NC(=C3)C

InChI

InChI=1S/C16H16N4OS2/c1-9-4-5-12-13(6-9)23-16(19-12)20-15(21)11(3)22-14-7-10(2)17-8-18-14/h4-8,11H,1-3H3,(H,19,20,21)/t11-/m0/s1