1-[(2R)-1-methoxypropan-2-yl]-3-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]thiourea

Systemtic Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]thiourea Openeye Name: 1-[(1R)-2-methoxy-1-methyl-ethyl]-3-[[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]amino]thiourea CAS Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]thiourea Traditional Name: 1-[(1R)-2-methoxy-1-methyl-ethyl]-3-[[2-(4-methylpiperidino)-5-nitro-benzoyl]amino]thiourea Formula: C18H27N5O4S MolecularWeight: 409.50308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NNC(=S)NC(C)COC

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NNC(=S)N[C@H](C)COC

InChI

InChI=1S/C18H27N5O4S/c1-12-6-8-22(9-7-12)16-5-4-14(23(25)26)10-15(16)17(24)20-21-18(28)19-13(2)11-27-3/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,20,24)(H2,19,21,28)/t13-/m1/s1