(5E)-5-[(2-adamantylamino)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-5-[(2-adamantylamino)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[(2-adamantylamino)methylene]-1-allyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(2-adamantylamino)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(2-adamantylamino)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-[(2-adamantylamino)methylene]-1-allyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CNC2C3CC4CC(C3)CC2C4)C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C/NC2C3CC4CC(C3)CC2C4)/C(=O)NC1=S

InChI

InChI=1S/C18H23N3O2S/c1-2-3-21-17(23)14(16(22)20-18(21)24)9-19-15-12-5-10-4-11(7-12)8-13(15)6-10/h2,9-13,15,19H,1,3-8H2,(H,20,22,24)/b14-9+