2-[[5-[[1-cyclohexyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-[[1-cyclohexyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[5-[(1-cyclohexyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[5-[(1-cyclohexyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-[(1-cyclohexyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[5-[(1-cyclohexyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-benzyl]isoindoline-1,3-quinone Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3CCCCC3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3CCCCC3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H25N3O5S/c1-35-22-12-11-16(13-17(22)15-29-24(32)19-9-5-6-10-20(19)25(29)33)14-21-23(31)28-27(36)30(26(21)34)18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8,15H2,1H3,(H,28,31,36)