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

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C25H35N3OS MolecularWeight: 425.6299

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C25H35N3OS/c29-23(27-24-20-13-18-12-19(15-20)16-21(24)14-18)17-30-25(26-22-8-4-3-5-9-22)28-10-6-1-2-7-11-28/h3-5,8-9,18-21,24H,1-2,6-7,10-17H2,(H,27,29)