5-[[1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-5-yl]methylidene]-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-5-yl]methylidene]-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-benzyl-5-[[1-[(2-chlorophenyl)methyl]indolin-5-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-5-yl]methylidene]-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-benzyl-5-[[1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-benzyl-5-[[1-(2-chlorobenzyl)indolin-5-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C27H22ClN3O2S MolecularWeight: 488.00048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)CC4=CC=CC=C4)CC5=CC=CC=C5Cl

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)CC4=CC=CC=C4)CC5=CC=CC=C5Cl

InChI

InChI=1S/C27H22ClN3O2S/c28-23-9-5-4-8-21(23)17-30-13-12-20-14-19(10-11-24(20)30)15-22-25(32)29-27(34)31(26(22)33)16-18-6-2-1-3-7-18/h1-11,14-15H,12-13,16-17H2,(H,29,32,34)