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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O2S/c1-3-4-5-6-10(2)16-14(21)17-13-9-11(18(19)20)7-8-12(13)15/h7-10H,3-6H2,1-2H3,(H2,16,17,21)/t10-/m0/s1