N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-[(4-methyl-6-oxidanylidene-1,3-diazinan-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-[(4-methyl-6-oxidanylidene-1,3-diazinan-2-yl)sulfanyl]ethanamide Openeye Name: N-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methyl]-2-(4-methyl-6-oxo-hexahydropyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)thio]acetamide IUPAC Name: N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide Traditional Name: 2-[(4-keto-6-methyl-hexahydropyrimidin-2-yl)thio]-N-[(2-methylcoumaran-5-yl)methyl]acetamide Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(N1)SCC(=O)NCC2=CC3=C(C=C2)OC(C3)C

Isomeric SMILES

CC1CC(=O)NC(N1)SCC(=O)NCC2=CC3=C(C=C2)OC(C3)C

InChI

InChI=1S/C17H23N3O3S/c1-10-5-15(21)20-17(19-10)24-9-16(22)18-8-12-3-4-14-13(7-12)6-11(2)23-14/h3-4,7,10-11,17,19H,5-6,8-9H2,1-2H3,(H,18,22)(H,20,21)