(5S)-1-(3-chlorophenyl)-5-(3-imidazol-1-ylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5S)-1-(3-chlorophenyl)-5-(3-imidazol-1-ylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-(3-chlorophenyl)-5-(3-imidazol-1-ylpropyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-(3-chlorophenyl)-5-[3-(1-imidazolyl)propyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-(3-chlorophenyl)-5-(3-imidazol-1-ylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-(3-chlorophenyl)-5-(3-imidazol-1-ylpropyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H16ClN5O2S MolecularWeight: 389.85924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2C(=O)C(C(=O)NC2=S)C=NCCCN3C=CN=C3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2C(=O)[C@H](C(=O)NC2=S)C=NCCCN3C=CN=C3

InChI

InChI=1S/C17H16ClN5O2S/c18-12-3-1-4-13(9-12)23-16(25)14(15(24)21-17(23)26)10-19-5-2-7-22-8-6-20-11-22/h1,3-4,6,8-11,14H,2,5,7H2,(H,21,24,26)/t14-/m0/s1