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

Systemtic Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[(3-methyl-4-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-[(1R)-2-methoxy-1-methyl-ethyl]-3-[(3-methyl-4-nitro-benzoyl)amino]thiourea CAS Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[(3-methyl-4-nitrobenzoyl)amino]thiourea Traditional Name: 1-[(1R)-2-methoxy-1-methyl-ethyl]-3-[(3-methyl-4-nitro-benzoyl)amino]thiourea Formula: C13H18N4O4S MolecularWeight: 326.37142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NNC(=S)NC(C)COC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NNC(=S)N[C@H](C)COC)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O4S/c1-8-6-10(4-5-11(8)17(19)20)12(18)15-16-13(22)14-9(2)7-21-3/h4-6,9H,7H2,1-3H3,(H,15,18)(H2,14,16,22)/t9-/m1/s1