(5E)-1-(4-methylphenyl)-5-[(piperidin-1-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-(4-methylphenyl)-5-[(piperidin-1-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[(1-piperidylamino)methylene]-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(4-methylphenyl)-5-[(1-piperidinylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(4-methylphenyl)-5-[(piperidin-1-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-[(piperidinoamino)methylene]-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNN3CCCCC3)C(=O)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/NN3CCCCC3)/C(=O)NC2=S

InChI

InChI=1S/C17H20N4O2S/c1-12-5-7-13(8-6-12)21-16(23)14(15(22)19-17(21)24)11-18-20-9-3-2-4-10-20/h5-8,11,18H,2-4,9-10H2,1H3,(H,19,22,24)/b14-11+