[2-oxidanylidene-2-(1,3,4-thiadiazol-2-ylamino)ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-oxidanylidene-2-(1,3,4-thiadiazol-2-ylamino)ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-keto-2-(1,3,4-thiadiazol-2-ylamino)ethyl] ester Formula: C17H21N5OS2 MolecularWeight: 375.51154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NN=CS3

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NN=CS3

InChI

InChI=1S/C17H21N5OS2/c23-15(20-16-21-18-13-25-16)12-24-17(19-14-8-4-3-5-9-14)22-10-6-1-2-7-11-22/h3-5,8-9,13H,1-2,6-7,10-12H2,(H,20,21,23)