5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1,3-benzodioxol-5-ylamino)methylene]-1-(3-chlorophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1,3-benzodioxol-5-ylamino)methylene]-1-(3-chlorophenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H12ClN3O4S MolecularWeight: 401.82358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H12ClN3O4S/c19-10-2-1-3-12(6-10)22-17(24)13(16(23)21-18(22)27)8-20-11-4-5-14-15(7-11)26-9-25-14/h1-8,20H,9H2,(H,21,23,27)