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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C17H18N4OS2 MolecularWeight: 358.48102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C17H18N4OS2/c1-10-4-5-13-14(8-10)24-17(20-13)21-15(22)6-7-23-16-18-11(2)9-12(3)19-16/h4-5,8-9H,6-7H2,1-3H3,(H,20,21,22)