4-(3-methoxy-4-phenylmethoxy-phenyl)-6-methylidene-N-pyridin-1-ium-2-yl-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: 4-(3-methoxy-4-phenylmethoxy-phenyl)-6-methylidene-N-pyridin-1-ium-2-yl-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: 4-(4-benzyloxy-3-methoxy-phenyl)-6-methylene-N-pyridin-1-ium-2-yl-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: 4-(3-methoxy-4-phenylmethoxyphenyl)-6-methylene-N-(2-pyridin-1-iumyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: 4-(3-methoxy-4-phenylmethoxyphenyl)-6-methylidene-N-pyridin-1-ium-2-yl-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: 4-(4-benzoxy-3-methoxy-phenyl)-6-methylene-N-pyridin-1-ium-2-yl-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C25H25N4O3S+ MolecularWeight: 461.556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)NC3=CC=CC=[NH+]3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)NC3=CC=CC=[NH+]3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O3S/c1-16-22(24(30)28-21-10-6-7-13-26-21)23(29-25(33)27-16)18-11-12-19(20(14-18)31-2)32-15-17-8-4-3-5-9-17/h3-14,22-23H,1,15H2,2H3,(H,26,28,30)(H2,27,29,33)/p+1