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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-[2-(1-cyclohexenyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-5-(piperonyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C(C(=O)NC2=S)C=NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C(C(=O)NC2=S)C=NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O4S/c25-19-16(12-22-11-15-6-7-17-18(10-15)28-13-27-17)20(26)24(21(29)23-19)9-8-14-4-2-1-3-5-14/h4,6-7,10,12,16H,1-3,5,8-9,11,13H2,(H,23,25,29)