O-propan-2-yl [2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-propan-2-yl [2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-isopropyl [2-(4-morpholinosulfonylanilino)-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]thio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-keto-2-(4-morpholinosulfonylanilino)ethyl]thio]methanethioic acid O-isopropyl ester Formula: C16H22N2O5S3 MolecularWeight: 418.55128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S3/c1-12(2)23-16(24)25-11-15(19)17-13-3-5-14(6-4-13)26(20,21)18-7-9-22-10-8-18/h3-6,12H,7-11H2,1-2H3,(H,17,19)