1-(2-chloranyl-5-nitro-phenyl)-3-[(2S)-5-methylhexan-2-yl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(2S)-5-methylhexan-2-yl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(1S)-1,4-dimethylpentyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(2S)-5-methylhexan-2-yl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(2S)-5-methylhexan-2-yl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(1S)-1,4-dimethylpentyl]thiourea Formula: C14H20ClN3O2S MolecularWeight: 329.8455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H20ClN3O2S/c1-9(2)4-5-10(3)16-14(21)17-13-8-11(18(19)20)6-7-12(13)15/h6-10H,4-5H2,1-3H3,(H2,16,17,21)/t10-/m0/s1