(4-chlorophenyl)methyl carbamimidothioate; 2-(dithiocarboxyamino)ethylcarbamodithioic acid

Systemtic Name: (4-chlorophenyl)methyl carbamimidothioate; 2-(dithiocarboxyamino)ethylcarbamodithioic acid Openeye Name: 2-[(4-chlorophenyl)methyl]isothiourea; 2-(dithiocarboxyamino)ethylcarbamodithioic acid CAS Name: carbamimidothioic acid (4-chlorophenyl)methyl ester; 2-(dithiocarboxyamino)ethylcarbamodithioic acid IUPAC Name: (4-chlorophenyl)methyl carbamimidothioate; 2-(dithiocarboxyamino)ethylcarbamodithioic acid Traditional Name: 2-(4-chlorobenzyl)isothiourea; 2-(dithiocarboxyamino)ethylcarbamodithioic acid Formula: C12H17ClN4S5 MolecularWeight: 413.06818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(=N)N)Cl.C(CNC(=S)S)NC(=S)S

Isomeric SMILES

C1=CC(=CC=C1CSC(=N)N)Cl.C(CNC(=S)S)NC(=S)S

InChI

InChI=1S/C8H9ClN2S.C4H8N2S4/c9-7-3-1-6(2-4-7)5-12-8(10)11;7-3(8)5-1-2-6-4(9)10/h1-4H,5H2,(H3,10,11);1-2H2,(H2,5,7,8)(H2,6,9,10)