1-(2-methylphenyl)-3-[4-morpholin-4-yl-6-(2-thiophen-2-ylethylcarbamothioylamino)-1,3,5-triazin-2-yl]urea

Systemtic Name: 1-(2-methylphenyl)-3-[4-morpholin-4-yl-6-(2-thiophen-2-ylethylcarbamothioylamino)-1,3,5-triazin-2-yl]urea Openeye Name: 1-[4-morpholino-6-[2-(2-thienyl)ethylcarbamothioylamino]-1,3,5-triazin-2-yl]-3-(o-tolyl)urea CAS Name: 1-(2-methylphenyl)-3-[4-(4-morpholinyl)-6-[[sulfanylidene-(2-thiophen-2-ylethylamino)methyl]amino]-1,3,5-triazin-2-yl]urea IUPAC Name: 1-(2-methylphenyl)-3-[4-morpholin-4-yl-6-(2-thiophen-2-ylethylcarbamothioylamino)-1,3,5-triazin-2-yl]urea Traditional Name: 1-[4-morpholino-6-[2-(2-thienyl)ethylthiocarbamoylamino]-s-triazin-2-yl]-3-(o-tolyl)urea Formula: C22H26N8O2S2 MolecularWeight: 498.62424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=NC(=NC(=N2)N3CCOCC3)NC(=S)NCCC4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=NC(=NC(=N2)N3CCOCC3)NC(=S)NCCC4=CC=CS4

InChI

InChI=1S/C22H26N8O2S2/c1-15-5-2-3-7-17(15)24-21(31)28-18-25-19(27-20(26-18)30-10-12-32-13-11-30)29-22(33)23-9-8-16-6-4-14-34-16/h2-7,14H,8-13H2,1H3,(H4,23,24,25,26,27,28,29,31,33)