1-(2-chloranyl-5-nitro-phenyl)-3-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiourea CAS Name: 1-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-3-[[(2R)-2-oxolanyl]methyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoylamino]thiourea Formula: C13H16ClN5O3S2 MolecularWeight: 389.88084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN5O3S2/c14-10-4-3-8(19(20)21)6-11(10)16-13(24)18-17-12(23)15-7-9-2-1-5-22-9/h3-4,6,9H,1-2,5,7H2,(H2,15,17,23)(H2,16,18,24)/t9-/m1/s1