1-(4-bromophenyl)-5-[(cycloheptylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-bromophenyl)-5-[(cycloheptylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-bromophenyl)-5-[(cycloheptylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-bromophenyl)-5-[(cycloheptylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-bromophenyl)-5-[(cycloheptylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-bromophenyl)-5-[(cycloheptylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H20BrN3O2S MolecularWeight: 422.3393

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCC(CC1)NC=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H20BrN3O2S/c19-12-7-9-14(10-8-12)22-17(24)15(16(23)21-18(22)25)11-20-13-5-3-1-2-4-6-13/h7-11,13,20H,1-6H2,(H,21,23,25)