5-[[2-(4-ethanoylpiperazin-1-yl)ethylamino]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[2-(4-ethanoylpiperazin-1-yl)ethylamino]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylene]-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2-(4-acetyl-1-piperazinyl)ethylamino]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[2-(4-acetylpiperazino)ethylamino]methylene]-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNCCN3CCN(CC3)C(=O)C)C(=O)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CNCCN3CCN(CC3)C(=O)C)C(=O)NC2=S

InChI

InChI=1S/C20H25N5O3S/c1-14-3-5-16(6-4-14)25-19(28)17(18(27)22-20(25)29)13-21-7-8-23-9-11-24(12-10-23)15(2)26/h3-6,13,21H,7-12H2,1-2H3,(H,22,27,29)