1-[2-(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonyl-phenyl)ethanoylamino]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[2-(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonyl-phenyl)ethanoylamino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[[2-(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonyl-phenyl)acetyl]amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[2-[4,5-dimethoxy-2-(1-pyrrolidinylsulfonyl)phenyl]-1-oxoethyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[[2-(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonylphenyl)acetyl]amino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[[2-(4,5-dimethoxy-2-pyrrolidinosulfonyl-phenyl)acetyl]amino]-3-(4-nitrophenyl)thiourea Formula: C21H25N5O7S2 MolecularWeight: 523.5825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O7S2/c1-32-17-11-14(19(13-18(17)33-2)35(30,31)25-9-3-4-10-25)12-20(27)23-24-21(34)22-15-5-7-16(8-6-15)26(28)29/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,23,27)(H2,22,24,34)