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

Systemtic Name: 5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1,3-benzodioxol-5-ylamino)methylene]-1-[2-(cyclohexen-1-yl)ethyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(1-cyclohexenyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1,3-benzodioxol-5-ylamino)methylene]-1-[2-(cyclohexen-1-yl)ethyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C(=CNC3=CC4=C(C=C3)OCO4)C(=O)NC2=S

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C(=CNC3=CC4=C(C=C3)OCO4)C(=O)NC2=S

InChI

InChI=1S/C20H21N3O4S/c24-18-15(11-21-14-6-7-16-17(10-14)27-12-26-16)19(25)23(20(28)22-18)9-8-13-4-2-1-3-5-13/h4,6-7,10-11,21H,1-3,5,8-9,12H2,(H,22,24,28)