S-[2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl] N-(4-fluorophenyl)carbamothioate

Systemtic Name: S-[2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl] N-(4-fluorophenyl)carbamothioate Openeye Name: S-[2-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]phenyl] N-(4-fluorophenyl)carbamothioate CAS Name: N-(4-fluorophenyl)carbamothioic acid S-[2-[[[(2S)-1-amino-1-oxopropan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]phenyl] N-(4-fluorophenyl)carbamothioate Traditional Name: N-(4-fluorophenyl)thiocarbamic acid S-[2-[[(1S)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]phenyl] ester Formula: C17H16FN3O3S MolecularWeight: 361.390643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H16FN3O3S/c1-10(15(19)22)20-16(23)13-4-2-3-5-14(13)25-17(24)21-12-8-6-11(18)7-9-12/h2-10H,1H3,(H2,19,22)(H,20,23)(H,21,24)/t10-/m0/s1