1-[(2R)-1-methoxypropan-2-yl]-3-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]thiourea

Systemtic Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]thiourea Openeye Name: 1-[(1R)-2-methoxy-1-methyl-ethyl]-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]thiourea CAS Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]thiourea Traditional Name: 1-[(1R)-2-methoxy-1-methyl-ethyl]-3-[[1-(2-nitrophenyl)isonipecotoyl]amino]thiourea Formula: C17H25N5O4S MolecularWeight: 395.4765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=S)NNC(=O)C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@H](COC)NC(=S)NNC(=O)C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O4S/c1-12(11-26-2)18-17(27)20-19-16(23)13-7-9-21(10-8-13)14-5-3-4-6-15(14)22(24)25/h3-6,12-13H,7-11H2,1-2H3,(H,19,23)(H2,18,20,27)/t12-/m1/s1