4-(4-chloranyl-2-nitro-phenyl)-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbothioamide Openeye Name: 4-(4-chloro-2-nitro-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide CAS Name: 4-(4-chloro-2-nitrophenyl)-N-[[(2R)-2-oxolanyl]methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-chloro-2-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbothioamide Traditional Name: 4-(4-chloro-2-nitro-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide Formula: C16H21ClN4O3S MolecularWeight: 384.88094

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)CNC(=S)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H21ClN4O3S/c17-12-3-4-14(15(10-12)21(22)23)19-5-7-20(8-6-19)16(25)18-11-13-2-1-9-24-13/h3-4,10,13H,1-2,5-9,11H2,(H,18,25)/t13-/m1/s1