N-(5-chloranyl-2-methyl-phenyl)-4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-(5-chloro-2-methylphenyl)-4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-(5-chloro-2-methylphenyl)-4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-4-(2,4-dichlorobenzyl)-1,4-diazepan-4-ium-1-carbothioamide Formula: C20H23Cl3N3S+ MolecularWeight: 443.84072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCC[NH+](CC2)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCC[NH+](CC2)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H22Cl3N3S/c1-14-3-5-17(22)12-19(14)24-20(27)26-8-2-7-25(9-10-26)13-15-4-6-16(21)11-18(15)23/h3-6,11-12H,2,7-10,13H2,1H3,(H,24,27)/p+1