2-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]propanamide

Systemtic Name: 2-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]propanamide Openeye Name: 2-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]propanamide CAS Name: 2-[3-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]phenyl]propanamide IUPAC Name: 2-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]propanamide Traditional Name: 2-[3-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)phenyl]propionamide Formula: C16H19N3OS MolecularWeight: 301.40656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=S)NC2=CCCC=C2)C(=O)N

Isomeric SMILES

CC(C1=CC(=CC=C1)NC(=S)NC2=CCCC=C2)C(=O)N

InChI

InChI=1S/C16H19N3OS/c1-11(15(17)20)12-6-5-9-14(10-12)19-16(21)18-13-7-3-2-4-8-13/h3,5-11H,2,4H2,1H3,(H2,17,20)(H2,18,19,21)