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

Systemtic Name: 1-[2-(4,5-dimethoxy-2-piperidin-1-ylsulfonyl-phenyl)ethanoylamino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[[2-[4,5-dimethoxy-2-(1-piperidylsulfonyl)phenyl]acetyl]amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[2-[4,5-dimethoxy-2-(1-piperidinylsulfonyl)phenyl]-1-oxoethyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[[2-(4,5-dimethoxy-2-piperidin-1-ylsulfonylphenyl)acetyl]amino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[[2-(4,5-dimethoxy-2-piperidinosulfonyl-phenyl)acetyl]amino]-3-(4-nitrophenyl)thiourea Formula: C22H27N5O7S2 MolecularWeight: 537.60908

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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)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C22H27N5O7S2/c1-33-18-12-15(20(14-19(18)34-2)36(31,32)26-10-4-3-5-11-26)13-21(28)24-25-22(35)23-16-6-8-17(9-7-16)27(29)30/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,24,28)(H2,23,25,35)