[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C18H27N3O4S3 MolecularWeight: 445.61968

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)C

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)C

InChI

InChI=1S/C18H27N3O4S3/c1-4-20(5-2)18(26)27-13-17(22)19-16-12-15(7-6-14(16)3)28(23,24)21-8-10-25-11-9-21/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,19,22)