butyl N'-[5-(methylcarbamoyl)-1-(2-oxidanylidenepropyl)imidazol-4-yl]-N-phenyl-carbamimidothioate

Systemtic Name: butyl N'-[5-(methylcarbamoyl)-1-(2-oxidanylidenepropyl)imidazol-4-yl]-N-phenyl-carbamimidothioate Openeye Name: 3-acetonyl-5-[[anilino(butylsulfanyl)methylene]amino]-N-methyl-imidazole-4-carboxamide CAS Name: N'-[5-(methylcarbamoyl)-1-(2-oxopropyl)-4-imidazolyl]-N-phenylcarbamimidothioic acid butyl ester IUPAC Name: butyl N'-[5-(methylcarbamoyl)-1-(2-oxopropyl)imidazol-4-yl]-N-phenylcarbamimidothioate Traditional Name: 3-acetonyl-5-[[anilino-(butylthio)methylene]amino]-N-methyl-imidazole-4-carboxamide Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=NC1=C(N(C=N1)CC(=O)C)C(=O)NC)NC2=CC=CC=C2

Isomeric SMILES

CCCCSC(=NC1=C(N(C=N1)CC(=O)C)C(=O)NC)NC2=CC=CC=C2

InChI

InChI=1S/C19H25N5O2S/c1-4-5-11-27-19(22-15-9-7-6-8-10-15)23-17-16(18(26)20-3)24(13-21-17)12-14(2)25/h6-10,13H,4-5,11-12H2,1-3H3,(H,20,26)(H,22,23)