ethyl N'-[5-(methylcarbamoyl)-3-(2-oxidanylidenepropyl)imidazol-4-yl]-N-phenyl-carbamimidothioate

Systemtic Name: ethyl N'-[5-(methylcarbamoyl)-3-(2-oxidanylidenepropyl)imidazol-4-yl]-N-phenyl-carbamimidothioate Openeye Name: 1-acetonyl-5-[(E)-[anilino(ethylsulfanyl)methylene]amino]-N-methyl-imidazole-4-carboxamide CAS Name: N'-[5-(methylcarbamoyl)-3-(2-oxopropyl)-4-imidazolyl]-N-phenylcarbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[5-(methylcarbamoyl)-3-(2-oxopropyl)imidazol-4-yl]-N-phenylcarbamimidothioate Traditional Name: 1-acetonyl-5-[(E)-[anilino-(ethylthio)methylene]amino]-N-methyl-imidazole-4-carboxamide Formula: C17H21N5O2S MolecularWeight: 359.44594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=C(N=CN1CC(=O)C)C(=O)NC)NC2=CC=CC=C2

Isomeric SMILES

CCS/C(=N/C1=C(N=CN1CC(=O)C)C(=O)NC)/NC2=CC=CC=C2

InChI

InChI=1S/C17H21N5O2S/c1-4-25-17(20-13-8-6-5-7-9-13)21-15-14(16(24)18-3)19-11-22(15)10-12(2)23/h5-9,11H,4,10H2,1-3H3,(H,18,24)(H,20,21)