N-[3-[(2-cyclopentylsulfanylphenyl)amino]-3-oxidanylidene-propyl]-2,4-bis(fluoranyl)benzamide

Systemtic Name: N-[3-[(2-cyclopentylsulfanylphenyl)amino]-3-oxidanylidene-propyl]-2,4-bis(fluoranyl)benzamide Openeye Name: N-[3-(2-cyclopentylsulfanylanilino)-3-oxo-propyl]-2,4-difluoro-benzamide CAS Name: N-[3-[2-(cyclopentylthio)anilino]-3-oxopropyl]-2,4-difluorobenzamide IUPAC Name: N-[3-(2-cyclopentylsulfanylanilino)-3-oxopropyl]-2,4-difluorobenzamide Traditional Name: N-[3-[2-(cyclopentylthio)anilino]-3-keto-propyl]-2,4-difluoro-benzamide Formula: C21H22F2N2O2S MolecularWeight: 404.473386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=CC=C2NC(=O)CCNC(=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CCC(C1)SC2=CC=CC=C2NC(=O)CCNC(=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C21H22F2N2O2S/c22-14-9-10-16(17(23)13-14)21(27)24-12-11-20(26)25-18-7-3-4-8-19(18)28-15-5-1-2-6-15/h3-4,7-10,13,15H,1-2,5-6,11-12H2,(H,24,27)(H,25,26)