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

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H25N3O2S/c24-19(21-15-18-11-8-14-25-18)16-26-20(22-17-9-4-3-5-10-17)23-12-6-1-2-7-13-23/h3-5,8-11,14H,1-2,6-7,12-13,15-16H2,(H,21,24)