N-(3-chloranyl-4-methoxy-phenyl)-3-propan-2-yl-1,3-diazinan-3-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-propan-2-yl-1,3-diazinan-3-ium-1-carbothioamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-isopropyl-hexahydropyrimidin-3-ium-1-carbothioamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,3-diazinan-3-ium-1-carbothioamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,3-diazinan-3-ium-1-carbothioamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3-isopropyl-hexahydropyrimidin-3-ium-1-carbothioamide Formula: C15H23ClN3OS+ MolecularWeight: 328.88062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCCN(C1)C(=S)NC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CC(C)[NH+]1CCCN(C1)C(=S)NC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C15H22ClN3OS/c1-11(2)18-7-4-8-19(10-18)15(21)17-12-5-6-14(20-3)13(16)9-12/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,17,21)/p+1