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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2S.ClH/c24-23(25)19-13-7-8-16(14-19)15-26-20(21-17-9-3-1-4-10-17)22-18-11-5-2-6-12-18;/h7-8,13-14,17-18H,1-6,9-12,15H2,(H,21,22);1H