4-[2-[1-[1-(4-chlorophenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]ethylamino]ethyl]-N-methyl-piperazine-1-carbothioamide

Systemtic Name: 4-[2-[1-[1-(4-chlorophenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]ethylamino]ethyl]-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-[2-[1-[1-(4-chlorophenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]ethylamino]ethyl]-N-methyl-piperazine-1-carbothioamide CAS Name: 4-[2-[1-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]ethyl]-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-[2-[1-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]ethylamino]ethyl]-N-methylpiperazine-1-carbothioamide Traditional Name: 4-[2-[1-[1-(4-chlorophenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]ethylamino]ethyl]-N-methyl-piperazine-1-carbothioamide Formula: C20H25ClN6O3S MolecularWeight: 464.9689

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl)NCCN3CCN(CC3)C(=S)NC

Isomeric SMILES

CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl)NCCN3CCN(CC3)C(=S)NC

InChI

InChI=1S/C20H25ClN6O3S/c1-13(23-7-8-25-9-11-26(12-10-25)20(31)22-2)16-17(28)24-19(30)27(18(16)29)15-5-3-14(21)4-6-15/h3-6,23H,7-12H2,1-2H3,(H,22,31)(H,24,28,30)