[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C21H23ClFN3OS MolecularWeight: 419.943223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFN3OS/c22-18-14-17(10-11-19(18)23)24-20(27)15-28-21(25-16-8-4-3-5-9-16)26-12-6-1-2-7-13-26/h3-5,8-11,14H,1-2,6-7,12-13,15H2,(H,24,27)