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

Systemtic Name: 1-[4-morpholin-4-yl-6-(2-thiophen-2-ylethylcarbamothioylamino)-1,3,5-triazin-2-yl]-3-(4-nitrophenyl)urea Openeye Name: 1-[4-morpholino-6-[2-(2-thienyl)ethylcarbamothioylamino]-1,3,5-triazin-2-yl]-3-(4-nitrophenyl)urea CAS Name: 1-[4-(4-morpholinyl)-6-[[sulfanylidene-(2-thiophen-2-ylethylamino)methyl]amino]-1,3,5-triazin-2-yl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[4-morpholin-4-yl-6-(2-thiophen-2-ylethylcarbamothioylamino)-1,3,5-triazin-2-yl]-3-(4-nitrophenyl)urea Traditional Name: 1-[4-morpholino-6-[2-(2-thienyl)ethylthiocarbamoylamino]-s-triazin-2-yl]-3-(4-nitrophenyl)urea Formula: C21H23N9O4S2 MolecularWeight: 529.59522

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)NC(=S)NCCC3=CC=CS3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)NC(=S)NCCC3=CC=CS3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N9O4S2/c31-20(23-14-3-5-15(6-4-14)30(32)33)27-17-24-18(26-19(25-17)29-9-11-34-12-10-29)28-21(35)22-8-7-16-2-1-13-36-16/h1-6,13H,7-12H2,(H4,22,23,24,25,26,27,28,31,35)