[(4R,5S)-4-(1,3-benzodioxol-5-yl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]-morpholin-4-yl-methanone

Systemtic Name: [(4R,5S)-4-(1,3-benzodioxol-5-yl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]-morpholin-4-yl-methanone Openeye Name: [(4R,5S)-4-(1,3-benzodioxol-5-yl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]-morpholino-methanone CAS Name: [(4R,5S)-4-(1,3-benzodioxol-5-yl)-6-methylene-2-sulfanylidene-1,3-diazinan-5-yl]-(4-morpholinyl)methanone IUPAC Name: [(4R,5S)-4-(1,3-benzodioxol-5-yl)-6-methylidene-2-sulfanylidene-1,3-diazinan-5-yl]-morpholin-4-ylmethanone Traditional Name: [(4R,5S)-4-(1,3-benzodioxol-5-yl)-6-methylene-2-thioxo-hexahydropyrimidin-5-yl]-morpholino-methanone Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=CC3=C(C=C2)OCO3)C(=O)N4CCOCC4

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=S)N1)C2=CC3=C(C=C2)OCO3)C(=O)N4CCOCC4

InChI

InChI=1S/C17H19N3O4S/c1-10-14(16(21)20-4-6-22-7-5-20)15(19-17(25)18-10)11-2-3-12-13(8-11)24-9-23-12/h2-3,8,14-15H,1,4-7,9H2,(H2,18,19,25)/t14-,15+/m1/s1