1-(2-methoxy-4-nitro-phenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C18H20N4O5S2 MolecularWeight: 436.5052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H20N4O5S2/c1-27-17-12-14(22(23)24)6-9-16(17)20-18(28)19-13-4-7-15(8-5-13)29(25,26)21-10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3,(H2,19,20,28)