(5R)-1-(4-bromophenyl)-5-(cycloheptyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N=CC2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCC(CC1)N=C[C@@H]2C(=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/h7-11,13,15H,1-6H2,(H,21,23,25)/t15-/m1/s1