(5Z)-1-(4-methoxyphenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5Z)-1-(4-methoxyphenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-(4-methoxyphenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-(4-methoxyphenyl)-5-[[4-(1-pyrrolidinyl)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-(4-methoxyphenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-(4-methoxyphenyl)-5-(4-pyrrolidinobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)N4CCCC4)C(=O)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)N4CCCC4)/C(=O)NC2=S

InChI

InChI=1S/C22H21N3O3S/c1-28-18-10-8-17(9-11-18)25-21(27)19(20(26)23-22(25)29)14-15-4-6-16(7-5-15)24-12-2-3-13-24/h4-11,14H,2-3,12-13H2,1H3,(H,23,26,29)/b19-14-