[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C15H21ClN3OS2+ MolecularWeight: 358.92974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC(=S)N2CC[NH+](CC2)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC(=S)N2CC[NH+](CC2)C)Cl

InChI

InChI=1S/C15H20ClN3OS2/c1-11-3-4-12(9-13(11)16)17-14(20)10-22-15(21)19-7-5-18(2)6-8-19/h3-4,9H,5-8,10H2,1-2H3,(H,17,20)/p+1