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

Systemtic Name: (5Z)-1-(3-methylphenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-(m-tolyl)-5-[(4-pyrrolidin-1-ylphenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-(3-methylphenyl)-5-[[4-(1-pyrrolidinyl)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-(3-methylphenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-(m-tolyl)-5-(4-pyrrolidinobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(C=C3)N4CCCC4)C(=O)NC2=S

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)N4CCCC4)/C(=O)NC2=S

InChI

InChI=1S/C22H21N3O2S/c1-15-5-4-6-18(13-15)25-21(27)19(20(26)23-22(25)28)14-16-7-9-17(10-8-16)24-11-2-3-12-24/h4-10,13-14H,2-3,11-12H2,1H3,(H,23,26,28)/b19-14-