5-[(heptylamino)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC=C1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCNC=C1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C18H23N3O2S/c1-2-3-4-5-9-12-19-13-15-16(22)20-18(24)21(17(15)23)14-10-7-6-8-11-14/h6-8,10-11,13,19H,2-5,9,12H2,1H3,(H,20,22,24)