1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-nitrophenyl)carbonylamino]thiourea

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-nitrophenyl)carbonylamino]thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-nitrobenzoyl)amino]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[(4-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-nitrobenzoyl)amino]thiourea Traditional Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-nitrobenzoyl)amino]thiourea Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O3S/c1-10-4-2-3-5-13(10)16-15(23)18-17-14(20)11-6-8-12(9-7-11)19(21)22/h6-10,13H,2-5H2,1H3,(H,17,20)(H2,16,18,23)/t10-,13-/m0/s1