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

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(2-nitrophenyl)carbamothioylamino]thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(2-nitrophenyl)carbamothioylamino]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[(2-nitroanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(2-nitrophenyl)carbamothioylamino]thiourea Traditional Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(2-nitrophenyl)thiocarbamoylamino]thiourea Formula: C15H21N5O2S2 MolecularWeight: 367.48954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NNC(=S)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NNC(=S)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O2S2/c1-10-6-2-3-7-11(10)16-14(23)18-19-15(24)17-12-8-4-5-9-13(12)20(21)22/h4-5,8-11H,2-3,6-7H2,1H3,(H2,16,18,23)(H2,17,19,24)/t10-,11-/m0/s1