3-[5-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[5-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[4,6-dioxo-5-[[1-(p-tolylmethyl)indol-3-yl]methylene]-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[1-[(4-methylphenyl)methyl]-3-indolyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[4,6-diketo-5-[[1-(4-methylbenzyl)indol-3-yl]methylene]-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C28H21N3O4S MolecularWeight: 495.54904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)N(C4=O)C5=CC=CC(=C5)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)N(C4=O)C5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C28H21N3O4S/c1-17-9-11-18(12-10-17)15-30-16-20(22-7-2-3-8-24(22)30)14-23-25(32)29-28(36)31(26(23)33)21-6-4-5-19(13-21)27(34)35/h2-14,16H,15H2,1H3,(H,34,35)(H,29,32,36)