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

Systemtic Name: 1-(4-ethoxyphenyl)-5-[(3-phenylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethoxyphenyl)-5-[(3-phenylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethoxyphenyl)-5-[(3-phenylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethoxyphenyl)-5-[(3-phenylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(3-phenylpropylamino)methylene]-1-p-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CNCCCC3=CC=CC=C3)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=CNCCCC3=CC=CC=C3)C(=O)NC2=S

InChI

InChI=1S/C22H23N3O3S/c1-2-28-18-12-10-17(11-13-18)25-21(27)19(20(26)24-22(25)29)15-23-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15,23H,2,6,9,14H2,1H3,(H,24,26,29)