2-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)imidazol-1-yl]-2-methyl-propanamide

Systemtic Name: 2-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)imidazol-1-yl]-2-methyl-propanamide Openeye Name: 2-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)imidazol-1-yl]-2-methyl-propanamide CAS Name: 2-[2-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]-1-imidazolyl]-2-methylpropanamide IUPAC Name: 2-[2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)imidazol-1-yl]-2-methylpropanamide Traditional Name: 2-[2-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)imidazol-1-yl]-2-methyl-propionamide Formula: C14H19N5OS MolecularWeight: 305.39856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N)N1C=CN=C1NC(=S)NC2=CCCC=C2

Isomeric SMILES

CC(C)(C(=O)N)N1C=CN=C1NC(=S)NC2=CCCC=C2

InChI

InChI=1S/C14H19N5OS/c1-14(2,11(15)20)19-9-8-16-12(19)18-13(21)17-10-6-4-3-5-7-10/h4,6-9H,3,5H2,1-2H3,(H2,15,20)(H2,16,17,18,21)