5-[[1-[2-(4-methylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[1-[2-(4-methylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-[2-(4-methylphenoxy)ethyl]indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-[2-(4-methylphenoxy)ethyl]-3-indolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-[2-(4-methylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-[2-(4-methylphenoxy)ethyl]indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)NC4=O

Isomeric SMILES

CC1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)NC4=O

InChI

InChI=1S/C22H19N3O3S/c1-14-6-8-16(9-7-14)28-11-10-25-13-15(17-4-2-3-5-19(17)25)12-18-20(26)23-22(29)24-21(18)27/h2-9,12-13H,10-11H2,1H3,(H2,23,24,26,27,29)