1-[3-(prop-2-enylcarbamothioylamino)phenyl]ethyl N-tert-butylcarbamate

Systemtic Name: 1-[3-(prop-2-enylcarbamothioylamino)phenyl]ethyl N-tert-butylcarbamate Openeye Name: 1-[3-(allylcarbamothioylamino)phenyl]ethyl N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid 1-[3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]phenyl]ethyl ester IUPAC Name: 1-[3-(prop-2-enylcarbamothioylamino)phenyl]ethyl N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid 1-[3-(allylthiocarbamoylamino)phenyl]ethyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=S)NCC=C)OC(=O)NC(C)(C)C

Isomeric SMILES

CC(C1=CC(=CC=C1)NC(=S)NCC=C)OC(=O)NC(C)(C)C

InChI

InChI=1S/C17H25N3O2S/c1-6-10-18-15(23)19-14-9-7-8-13(11-14)12(2)22-16(21)20-17(3,4)5/h6-9,11-12H,1,10H2,2-5H3,(H,20,21)(H2,18,19,23)