(4-nitrophenyl)methyl N,N'-dicyclohexylcarbamimidothioate hydrochloride

Systemtic Name: (4-nitrophenyl)methyl N,N'-dicyclohexylcarbamimidothioate hydrochloride Openeye Name: 1,3-dicyclohexyl-2-[(4-nitrophenyl)methyl]isothiourea hydrochloride CAS Name: N,N'-dicyclohexylcarbamimidothioic acid (4-nitrophenyl)methyl ester hydrochloride IUPAC Name: (4-nitrophenyl)methyl N,N'-dicyclohexylcarbamimidothioate hydrochloride Traditional Name: 1,3-dicyclohexyl-2-(4-nitrobenzyl)isothiourea hydrochloride Formula: C20H30ClN3O2S MolecularWeight: 411.9891

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CC=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CC=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H29N3O2S.ClH/c24-23(25)19-13-11-16(12-14-19)15-26-20(21-17-7-3-1-4-8-17)22-18-9-5-2-6-10-18;/h11-14,17-18H,1-10,15H2,(H,21,22);1H