[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(2-bromoanilino)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(2-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromoanilino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-(2-bromoanilino)-2-keto-ethyl] ester Formula: C21H24BrN3OS MolecularWeight: 446.40376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3Br

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C21H24BrN3OS/c22-18-12-6-7-13-19(18)24-20(26)16-27-21(23-17-10-4-3-5-11-17)25-14-8-1-2-9-15-25/h3-7,10-13H,1-2,8-9,14-16H2,(H,24,26)