[2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(2,4-difluoroanilino)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(2,4-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-difluoroanilino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-(2,4-difluoroanilino)-2-keto-ethyl] ester Formula: C21H23F2N3OS MolecularWeight: 403.488626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C21H23F2N3OS/c22-16-10-11-19(18(23)14-16)25-20(27)15-28-21(24-17-8-4-3-5-9-17)26-12-6-1-2-7-13-26/h3-5,8-11,14H,1-2,6-7,12-13,15H2,(H,25,27)