3-(4-tert-butyl-2-sulfanylidene-1H-pyrimidin-6-yl)-N-(3,4-dimethylphenyl)propanamide

Systemtic Name: 3-(4-tert-butyl-2-sulfanylidene-1H-pyrimidin-6-yl)-N-(3,4-dimethylphenyl)propanamide Openeye Name: 3-(4-tert-butyl-2-thioxo-1H-pyrimidin-6-yl)-N-(3,4-dimethylphenyl)propanamide CAS Name: 3-(4-tert-butyl-2-sulfanylidene-1H-pyrimidin-6-yl)-N-(3,4-dimethylphenyl)propanamide IUPAC Name: 3-(4-tert-butyl-2-sulfanylidene-1H-pyrimidin-6-yl)-N-(3,4-dimethylphenyl)propanamide Traditional Name: 3-(4-tert-butyl-2-thioxo-1H-pyrimidin-6-yl)-N-(3,4-dimethylphenyl)propionamide Formula: C19H25N3OS MolecularWeight: 343.4863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=CC(=NC(=S)N2)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=CC(=NC(=S)N2)C(C)(C)C)C

InChI

InChI=1S/C19H25N3OS/c1-12-6-7-14(10-13(12)2)20-17(23)9-8-15-11-16(19(3,4)5)22-18(24)21-15/h6-7,10-11H,8-9H2,1-5H3,(H,20,23)(H,21,22,24)