[1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] N,N-diethylcarbamodithioate

Systemtic Name: [1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] N,N-diethylcarbamodithioate Openeye Name: [1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [1-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-keto-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C19H29N3O4S3 MolecularWeight: 459.64626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4S3/c1-5-21(6-2)19(27)28-15(4)18(23)20-16-8-7-14(3)17(13-16)29(24,25)22-9-11-26-12-10-22/h7-8,13,15H,5-6,9-12H2,1-4H3,(H,20,23)