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

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C21H31N3OS MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3CCCCC3

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3CCCCC3

InChI

InChI=1S/C21H31N3OS/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/h4,7-8,13-14,18H,1-3,5-6,9-12,15-17H2,(H,22,25)