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

Systemtic Name: 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-[2-(4-sec-butylphenoxy)ethyl]indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]-3-indolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-[2-(4-sec-butylphenoxy)ethyl]indol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S/c1-3-16(2)17-8-10-19(11-9-17)31-13-12-28-15-18(20-6-4-5-7-22(20)28)14-21-23(29)26-25(32)27-24(21)30/h4-11,14-16H,3,12-13H2,1-2H3,(H2,26,27,29,30,32)