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

Systemtic Name: 2-[[5-[[4,6-bis(oxidanylidene)-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[5-[[1-(4-isopropylphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[5-[[4,6-dioxo-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-[[4,6-dioxo-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[5-[(4,6-diketo-1-p-cumenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-benzyl]isoindoline-1,3-quinone Formula: C30H25N3O5S MolecularWeight: 539.6016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O)C(=O)NC2=S

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O)C(=O)NC2=S

InChI

InChI=1S/C30H25N3O5S/c1-17(2)19-9-11-21(12-10-19)33-29(37)24(26(34)31-30(33)39)15-18-8-13-25(38-3)20(14-18)16-32-27(35)22-6-4-5-7-23(22)28(32)36/h4-15,17H,16H2,1-3H3,(H,31,34,39)