1-(4-nitrophenyl)-3-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiourea Openeye Name: 1-(4-nitrophenyl)-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiourea CAS Name: 1-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-3-[[(2R)-2-oxolanyl]methyl]thiourea IUPAC Name: 1-(4-nitrophenyl)-3-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiourea Traditional Name: 1-(4-nitrophenyl)-3-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoylamino]thiourea Formula: C13H17N5O3S2 MolecularWeight: 355.43578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)CNC(=S)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O3S2/c19-18(20)10-5-3-9(4-6-10)15-13(23)17-16-12(22)14-8-11-2-1-7-21-11/h3-6,11H,1-2,7-8H2,(H2,14,16,22)(H2,15,17,23)/t11-/m1/s1