1-(2-methyl-3-nitro-phenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(2-methyl-3-nitro-phenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-(2-methyl-3-nitro-phenyl)-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-(2-methyl-3-nitrophenyl)-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2-methyl-3-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(2-methyl-3-nitro-phenyl)-3-(4-morpholinosulfonylphenyl)thiourea Formula: C18H20N4O5S2 MolecularWeight: 436.5052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H20N4O5S2/c1-13-16(3-2-4-17(13)22(23)24)20-18(28)19-14-5-7-15(8-6-14)29(25,26)21-9-11-27-12-10-21/h2-8H,9-12H2,1H3,(H2,19,20,28)