5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-cyclohexyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-cyclohexyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-cyclohexyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-cyclohexyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-cyclohexyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-cyclohexyl-5-(piperonyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(C(=O)NC2=S)C=NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(C(=O)NC2=S)C=NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N3O4S/c23-17-14(10-20-9-12-6-7-15-16(8-12)26-11-25-15)18(24)22(19(27)21-17)13-4-2-1-3-5-13/h6-8,10,13-14H,1-5,9,11H2,(H,21,23,27)