[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C14H19ClN2O3S3 MolecularWeight: 394.96026

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)C)Cl

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)C)Cl

InChI

InChI=1S/C14H19ClN2O3S3/c1-4-17(5-2)14(21)22-9-13(18)16-12-8-10(23(3,19)20)6-7-11(12)15/h6-8H,4-5,9H2,1-3H3,(H,16,18)