N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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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)CSC4=NC(=O)C=C(N4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NC(=O)C=C(N4)C

InChI

InChI=1S/C21H18N4O2S2/c1-12-3-8-16-17(9-12)29-20(24-16)14-4-6-15(7-5-14)23-19(27)11-28-21-22-13(2)10-18(26)25-21/h3-10H,11H2,1-2H3,(H,23,27)(H,22,25,26)