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

Systemtic Name: (5S)-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-isopropylphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-5-[3-(1-imidazolyl)propyliminomethyl]-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-5-(3-imidazol-1-ylpropyliminomethyl)-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-5-(3-imidazol-1-ylpropyliminomethyl)-1-p-cumenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2S/c1-14(2)15-4-6-16(7-5-15)25-19(27)17(18(26)23-20(25)28)12-21-8-3-10-24-11-9-22-13-24/h4-7,9,11-14,17H,3,8,10H2,1-2H3,(H,23,26,28)/t17-/m0/s1