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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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