1-[(2S)-2-ethylhexyl]-3-[(2-nitrophenyl)carbamothioylamino]thiourea

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-[(2-nitrophenyl)carbamothioylamino]thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-[(2-nitrophenyl)carbamothioylamino]thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-[[(2-nitroanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-[(2-nitrophenyl)carbamothioylamino]thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-[(2-nitrophenyl)thiocarbamoylamino]thiourea Formula: C16H25N5O2S2 MolecularWeight: 383.532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NNC(=S)NC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5O2S2/c1-3-5-8-12(4-2)11-17-15(24)19-20-16(25)18-13-9-6-7-10-14(13)21(22)23/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H2,17,19,24)(H2,18,20,25)/t12-/m0/s1