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

Systemtic Name: 2-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-methyl-propanamide Openeye Name: 2-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-methyl-propanamide CAS Name: 2-[3-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]phenyl]-2-methylpropanamide IUPAC Name: 2-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-methylpropanamide Traditional Name: 2-[3-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)phenyl]-2-methyl-propionamide Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3OS/c1-17(2,15(18)21)12-7-6-10-14(11-12)20-16(22)19-13-8-4-3-5-9-13/h4,6-11H,3,5H2,1-2H3,(H2,18,21)(H2,19,20,22)