1-(4-ethylphenyl)-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-ethylphenyl)-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethylphenyl)-5-[(4-pyrrolidin-1-yl-1-naphthyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethylphenyl)-5-[[4-(1-pyrrolidinyl)-1-naphthalenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethylphenyl)-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-ethylphenyl)-5-[(4-pyrrolidino-1-naphthyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C4=CC=CC=C34)N5CCCC5)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C4=CC=CC=C34)N5CCCC5)C(=O)NC2=S

InChI

InChI=1S/C27H25N3O2S/c1-2-18-9-12-20(13-10-18)30-26(32)23(25(31)28-27(30)33)17-19-11-14-24(29-15-5-6-16-29)22-8-4-3-7-21(19)22/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,28,31,33)