N-(3-chloranyl-2-methyl-phenyl)-3-propan-2-yl-1,3-diazinan-3-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-3-propan-2-yl-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-3-isopropyl-hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-3-propan-2-yl-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-3-propan-2-yl-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-3-isopropyl-hexahydropyrimidin-3-ium-1-carbothioamide Formula: C15H23ClN3S+ MolecularWeight: 312.88122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCC[NH+](C2)C(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCC[NH+](C2)C(C)C

InChI

InChI=1S/C15H22ClN3S/c1-11(2)18-8-5-9-19(10-18)15(20)17-14-7-4-6-13(16)12(14)3/h4,6-7,11H,5,8-10H2,1-3H3,(H,17,20)/p+1