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

Systemtic Name: 1-methyl-3-[(1S,2S)-2-methylcyclohexyl]-1-[(1S)-1-(3-nitrophenyl)ethyl]thiourea Openeye Name: 1-methyl-3-[(1S,2S)-2-methylcyclohexyl]-1-[(1S)-1-(3-nitrophenyl)ethyl]thiourea CAS Name: 1-methyl-3-[(1S,2S)-2-methylcyclohexyl]-1-[(1S)-1-(3-nitrophenyl)ethyl]thiourea IUPAC Name: 1-methyl-3-[(1S,2S)-2-methylcyclohexyl]-1-[(1S)-1-(3-nitrophenyl)ethyl]thiourea Traditional Name: 1-methyl-3-[(1S,2S)-2-methylcyclohexyl]-1-[(1S)-1-(3-nitrophenyl)ethyl]thiourea Formula: C17H25N3O2S MolecularWeight: 335.4643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-12-7-4-5-10-16(12)18-17(23)19(3)13(2)14-8-6-9-15(11-14)20(21)22/h6,8-9,11-13,16H,4-5,7,10H2,1-3H3,(H,18,23)/t12-,13-,16-/m0/s1