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

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[2-[(4-nitrophenyl)amino]ethyl]thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[2-(4-nitroanilino)ethyl]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[2-(4-nitroanilino)ethyl]thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[2-(4-nitroanilino)ethyl]thiourea Traditional Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[2-(4-nitroanilino)ethyl]thiourea Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O2S/c1-12-4-2-3-5-15(12)19-16(23)18-11-10-17-13-6-8-14(9-7-13)20(21)22/h6-9,12,15,17H,2-5,10-11H2,1H3,(H2,18,19,23)/t12-,15-/m0/s1