1-(2-chloranyl-5-nitro-phenyl)-3-[(2S)-6-methylheptan-2-yl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(2S)-6-methylheptan-2-yl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(1S)-1,5-dimethylhexyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(2S)-6-methylheptan-2-yl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(2S)-6-methylheptan-2-yl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(1S)-1,5-dimethylhexyl]thiourea Formula: C15H22ClN3O2S MolecularWeight: 343.87208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClN3O2S/c1-10(2)5-4-6-11(3)17-15(22)18-14-9-12(19(20)21)7-8-13(14)16/h7-11H,4-6H2,1-3H3,(H2,17,18,22)/t11-/m0/s1