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

Systemtic Name: 5-[(azepan-1-ylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(azepan-1-ylamino)methylene]-1-(4-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1-azepanylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(azepan-1-ylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(azepan-1-ylamino)methylene]-1-(4-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H19FN4O2S MolecularWeight: 362.421763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19FN4O2S/c18-12-5-7-13(8-6-12)22-16(24)14(15(23)20-17(22)25)11-19-21-9-3-1-2-4-10-21/h5-8,11,19H,1-4,9-10H2,(H,20,23,25)