5-[(azepan-1-ylamino)methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(azepan-1-ylamino)methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(azepan-1-ylamino)methylene]-1-[(4-fluorophenyl)methyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1-azepanylamino)methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(azepan-1-ylamino)methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(azepan-1-ylamino)methylene]-1-(4-fluorobenzyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H21FN4O2S MolecularWeight: 376.448343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NC=C2C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)NC=C2C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN4O2S/c19-14-7-5-13(6-8-14)12-23-17(25)15(16(24)21-18(23)26)11-20-22-9-3-1-2-4-10-22/h5-8,11,20H,1-4,9-10,12H2,(H,21,24,26)