[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-[(4-tert-butylthiazol-2-yl)amino]-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-[(4-tert-butyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-[(4-tert-butylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C22H30N4OS2 MolecularWeight: 430.6298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3

InChI

InChI=1S/C22H30N4OS2/c1-22(2,3)18-15-28-20(24-18)25-19(27)16-29-21(23-17-11-7-6-8-12-17)26-13-9-4-5-10-14-26/h6-8,11-12,15H,4-5,9-10,13-14,16H2,1-3H3,(H,24,25,27)