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

Systemtic Name: 2-[[2-methoxy-5-[(Z)-[1-(2-methylphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-methoxy-5-[(Z)-[1-(o-tolyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-methoxy-5-[(Z)-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-methoxy-5-[(Z)-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[5-[(Z)-[4,6-diketo-1-(o-tolyl)-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-benzyl]isoindoline-1,3-quinone Formula: C28H21N3O5S MolecularWeight: 511.54844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CC3=CC(=C(C=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O)C(=O)NC2=S

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)/C(=C\C3=CC(=C(C=C3)OC)CN4C(=O)C5=CC=CC=C5C4=O)/C(=O)NC2=S

InChI

InChI=1S/C28H21N3O5S/c1-16-7-3-6-10-22(16)31-27(35)21(24(32)29-28(31)37)14-17-11-12-23(36-2)18(13-17)15-30-25(33)19-8-4-5-9-20(19)26(30)34/h3-14H,15H2,1-2H3,(H,29,32,37)/b21-14-