1-(2,4-dimethyl-5-nitro-phenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(2,4-dimethyl-5-nitro-phenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-(2,4-dimethyl-5-nitro-phenyl)-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-(2,4-dimethyl-5-nitrophenyl)-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2,4-dimethyl-5-nitrophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(2,4-dimethyl-5-nitro-phenyl)-3-(4-morpholinosulfonylphenyl)thiourea Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N4O5S2/c1-13-11-14(2)18(23(24)25)12-17(13)21-19(29)20-15-3-5-16(6-4-15)30(26,27)22-7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H2,20,21,29)