1-[(2,4-dinitrophenyl)amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea

Systemtic Name: 1-[(2,4-dinitrophenyl)amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Openeye Name: 1-(2,4-dinitroanilino)-3-[(1S,2S)-2-methylcyclohexyl]thiourea CAS Name: 1-(2,4-dinitroanilino)-3-[(1S,2S)-2-methylcyclohexyl]thiourea IUPAC Name: 1-(2,4-dinitroanilino)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Traditional Name: 1-(2,4-dinitroanilino)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C14H19N5O4S MolecularWeight: 353.39676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H19N5O4S/c1-9-4-2-3-5-11(9)15-14(24)17-16-12-7-6-10(18(20)21)8-13(12)19(22)23/h6-9,11,16H,2-5H2,1H3,(H2,15,17,24)/t9-,11-/m0/s1