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

Systemtic Name: 5-[[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-[2-(3-methoxyphenoxy)ethyl]-3-indolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCCN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)NC4=O

Isomeric SMILES

COC1=CC(=CC=C1)OCCN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)NC4=O

InChI

InChI=1S/C22H19N3O4S/c1-28-15-5-4-6-16(12-15)29-10-9-25-13-14(17-7-2-3-8-19(17)25)11-18-20(26)23-22(30)24-21(18)27/h2-8,11-13H,9-10H2,1H3,(H2,23,24,26,27,30)