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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[[(2S)-6-methylheptan-2-yl]carbamothioylamino]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[[(1S)-1,5-dimethylhexyl]carbamothioylamino]thiourea CAS Name: 1-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-3-[(2S)-6-methylheptan-2-yl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[[(2S)-6-methylheptan-2-yl]carbamothioylamino]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[[(1S)-1,5-dimethylhexyl]thiocarbamoylamino]thiourea Formula: C16H24ClN5O2S2 MolecularWeight: 417.97706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN5O2S2/c1-10(2)5-4-6-11(3)18-15(25)20-21-16(26)19-14-9-12(22(23)24)7-8-13(14)17/h7-11H,4-6H2,1-3H3,(H2,18,20,25)(H2,19,21,26)/t11-/m0/s1