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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(2S)-pentan-2-yl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(1S)-1-methylbutyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(2S)-pentan-2-yl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(2S)-pentan-2-yl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(1S)-1-methylbutyl]thiourea Formula: C12H16ClN3O2S MolecularWeight: 301.79234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3O2S/c1-3-4-8(2)14-12(19)15-11-7-9(16(17)18)5-6-10(11)13/h5-8H,3-4H2,1-2H3,(H2,14,15,19)/t8-/m0/s1