S-[2-[[1-[(5-fluoranyl-2-methyl-phenyl)methyl]aziridin-2-yl]carbonylamino]ethyl] benzenecarbothioate

Systemtic Name: S-[2-[[1-[(5-fluoranyl-2-methyl-phenyl)methyl]aziridin-2-yl]carbonylamino]ethyl] benzenecarbothioate Openeye Name: S-[2-[[1-[(5-fluoro-2-methyl-phenyl)methyl]aziridine-2-carbonyl]amino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[[1-[(5-fluoro-2-methylphenyl)methyl]-2-aziridinyl]-oxomethyl]amino]ethyl] ester IUPAC Name: S-[2-[[1-[(5-fluoro-2-methylphenyl)methyl]aziridine-2-carbonyl]amino]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[1-(5-fluoro-2-methyl-benzyl)ethylenimine-2-carbonyl]amino]ethyl] ester Formula: C20H21FN2O2S MolecularWeight: 372.456343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)CN2CC2C(=O)NCCSC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)F)CN2CC2C(=O)NCCSC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21FN2O2S/c1-14-7-8-17(21)11-16(14)12-23-13-18(23)19(24)22-9-10-26-20(25)15-5-3-2-4-6-15/h2-8,11,18H,9-10,12-13H2,1H3,(H,22,24)