(phenylmethyl) N-[(2S)-1-[(2-azanyl-5-fluoranyl-phenyl)amino]-1-sulfanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(2-azanyl-5-fluoranyl-phenyl)amino]-1-sulfanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-(2-amino-5-fluoro-anilino)-1-methyl-2-thioxo-ethyl]carbamate CAS Name: N-[(2S)-1-(2-amino-5-fluoroanilino)-1-sulfanylidenepropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(2-amino-5-fluoroanilino)-1-sulfanylidenepropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(2-amino-5-fluoro-anilino)-1-methyl-2-thioxo-ethyl]carbamic acid benzyl ester Formula: C17H18FN3O2S MolecularWeight: 347.407123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=S)NC1=C(C=CC(=C1)F)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=S)NC1=C(C=CC(=C1)F)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H18FN3O2S/c1-11(16(24)21-15-9-13(18)7-8-14(15)19)20-17(22)23-10-12-5-3-2-4-6-12/h2-9,11H,10,19H2,1H3,(H,20,22)(H,21,24)/t11-/m0/s1