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

Systemtic Name: 5-[[2-(4-ethanoylpiperazin-1-yl)ethylamino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylene]-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2-(4-acetyl-1-piperazinyl)ethylamino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2-(4-acetylpiperazin-1-yl)ethylamino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[2-(4-acetylpiperazino)ethylamino]methylene]-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CCNC=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)CCNC=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25N5O4S/c1-14(26)24-11-9-23(10-12-24)8-7-21-13-17-18(27)22-20(30)25(19(17)28)15-3-5-16(29-2)6-4-15/h3-6,13,21H,7-12H2,1-2H3,(H,22,27,30)