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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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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)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4OS2/c1-13-8-9-16-18(10-13)28-21(24-16)25-20(26)14(2)27-19-11-17(22-12-23-19)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,24,25,26)