(2-oxidanylidene-2-phenylazanyl-ethyl) N-phenylazepane-1-carboximidothioate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) N-phenylazepane-1-carboximidothioate Openeye Name: (2-anilino-2-oxo-ethyl) N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid (2-anilino-2-keto-ethyl) ester Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c25-20(22-18-11-5-3-6-12-18)17-26-21(23-19-13-7-4-8-14-19)24-15-9-1-2-10-16-24/h3-8,11-14H,1-2,9-10,15-17H2,(H,22,25)