methyl N'-(cyclohexylmethyl)-N-(4-nitrophenyl)carbamimidothioate

Systemtic Name: methyl N'-(cyclohexylmethyl)-N-(4-nitrophenyl)carbamimidothioate Openeye Name: 3-(cyclohexylmethyl)-2-methyl-1-(4-nitrophenyl)isothiourea CAS Name: N'-(cyclohexylmethyl)-N-(4-nitrophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(cyclohexylmethyl)-N-(4-nitrophenyl)carbamimidothioate Traditional Name: 3-(cyclohexylmethyl)-2-methyl-1-(4-nitrophenyl)isothiourea Formula: C15H21N3O2S MolecularWeight: 307.41114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1CCCCC1)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC(=NCC1CCCCC1)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O2S/c1-21-15(16-11-12-5-3-2-4-6-12)17-13-7-9-14(10-8-13)18(19)20/h7-10,12H,2-6,11H2,1H3,(H,16,17)