S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 2,4-bis(fluoranyl)benzenecarbothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 2,4-bis(fluoranyl)benzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] 2,4-difluorobenzenecarbothioate CAS Name: 2,4-difluorobenzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] 2,4-difluorobenzenecarbothioate Traditional Name: 2,4-difluorothiobenzoic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C17H14F2N2O3S MolecularWeight: 364.366466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCC(=O)N)SC(=O)C2=C(C=C(C=C2)F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCC(=O)N)SC(=O)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C17H14F2N2O3S/c18-10-5-6-11(13(19)9-10)17(24)25-14-4-2-1-3-12(14)16(23)21-8-7-15(20)22/h1-6,9H,7-8H2,(H2,20,22)(H,21,23)