5-[[(3,5-dimethoxyphenyl)methylamino]methylidene]-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[(3,5-dimethoxyphenyl)methylamino]methylidene]-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-benzyl-5-[[(3,5-dimethoxyphenyl)methylamino]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[(3,5-dimethoxyphenyl)methylamino]methylidene]-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-benzyl-5-[[(3,5-dimethoxyphenyl)methylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-benzyl-5-[[(3,5-dimethoxybenzyl)amino]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CNC=C2C(=O)NC(=S)N(C2=O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CNC=C2C(=O)NC(=S)N(C2=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H21N3O4S/c1-27-16-8-15(9-17(10-16)28-2)11-22-12-18-19(25)23-21(29)24(20(18)26)13-14-6-4-3-5-7-14/h3-10,12,22H,11,13H2,1-2H3,(H,23,25,29)