1-carbamimidoyl-1-(2,6-diethyl-4-nitro-phenyl)-3-methyl-thiourea hydrochloride

Systemtic Name: 1-carbamimidoyl-1-(2,6-diethyl-4-nitro-phenyl)-3-methyl-thiourea hydrochloride Openeye Name: 1-carbamimidoyl-1-(2,6-diethyl-4-nitro-phenyl)-3-methyl-thiourea hydrochloride CAS Name: 1-carbamimidoyl-1-(2,6-diethyl-4-nitrophenyl)-3-methylthiourea hydrochloride IUPAC Name: 1-carbamimidoyl-1-(2,6-diethyl-4-nitrophenyl)-3-methylthiourea hydrochloride Traditional Name: 1-amidino-1-(2,6-diethyl-4-nitro-phenyl)-3-methyl-thiourea hydrochloride Formula: C13H20ClN5O2S MolecularWeight: 345.8482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1N(C(=N)N)C(=S)NC)CC)[N+](=O)[O-].Cl

Isomeric SMILES

CCC1=CC(=CC(=C1N(C(=N)N)C(=S)NC)CC)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H19N5O2S.ClH/c1-4-8-6-10(18(19)20)7-9(5-2)11(8)17(12(14)15)13(21)16-3;/h6-7H,4-5H2,1-3H3,(H3,14,15)(H,16,21);1H