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

Systemtic Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[2-(4-nitrophenyl)sulfanylethanoylamino]thiourea Openeye Name: 1-[(1R)-2-methoxy-1-methyl-ethyl]-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiourea CAS Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-[(2R)-1-methoxypropan-2-yl]-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiourea Traditional Name: 1-[(1R)-2-methoxy-1-methyl-ethyl]-3-[[2-[(4-nitrophenyl)thio]acetyl]amino]thiourea Formula: C13H18N4O4S2 MolecularWeight: 358.43642

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=S)NNC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@H](COC)NC(=S)NNC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O4S2/c1-9(7-21-2)14-13(22)16-15-12(18)8-23-11-5-3-10(4-6-11)17(19)20/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H2,14,16,22)/t9-/m1/s1