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

Systemtic Name: propyl N'-[5-(methylcarbamoyl)-3-(2-oxidanylidenepropyl)imidazol-4-yl]-N-phenyl-carbamimidothioate Openeye Name: 1-acetonyl-5-[(E)-[anilino(propylsulfanyl)methylene]amino]-N-methyl-imidazole-4-carboxamide CAS Name: N'-[5-(methylcarbamoyl)-3-(2-oxopropyl)-4-imidazolyl]-N-phenylcarbamimidothioic acid propyl ester IUPAC Name: propyl N'-[5-(methylcarbamoyl)-3-(2-oxopropyl)imidazol-4-yl]-N-phenylcarbamimidothioate Traditional Name: 1-acetonyl-5-[(E)-[anilino-(propylthio)methylene]amino]-N-methyl-imidazole-4-carboxamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2S/c1-4-10-26-18(21-14-8-6-5-7-9-14)22-16-15(17(25)19-3)20-12-23(16)11-13(2)24/h5-9,12H,4,10-11H2,1-3H3,(H,19,25)(H,21,22)