1-(2-methoxy-4-morpholin-4-ylsulfonyl-phenyl)-3-(2-nitrophenyl)thiourea

Systemtic Name: 1-(2-methoxy-4-morpholin-4-ylsulfonyl-phenyl)-3-(2-nitrophenyl)thiourea Openeye Name: 1-(2-methoxy-4-morpholinosulfonyl-phenyl)-3-(2-nitrophenyl)thiourea CAS Name: 1-[2-methoxy-4-(4-morpholinylsulfonyl)phenyl]-3-(2-nitrophenyl)thiourea IUPAC Name: 1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(2-nitrophenyl)thiourea Traditional Name: 1-(2-methoxy-4-morpholinosulfonyl-phenyl)-3-(2-nitrophenyl)thiourea Formula: C18H20N4O6S2 MolecularWeight: 452.5046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=S)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=S)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S2/c1-27-17-12-13(30(25,26)21-8-10-28-11-9-21)6-7-15(17)20-18(29)19-14-4-2-3-5-16(14)22(23)24/h2-7,12H,8-11H2,1H3,(H2,19,20,29)