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

Systemtic Name: ethyl N'-[5-[(4-methylphenyl)carbamoyl]-3-(2-oxidanylidenepropyl)imidazol-4-yl]-N-phenyl-carbamimidothioate Openeye Name: 1-acetonyl-5-[(Z)-[anilino(ethylsulfanyl)methylene]amino]-N-(p-tolyl)imidazole-4-carboxamide CAS Name: N'-[5-[(4-methylanilino)-oxomethyl]-3-(2-oxopropyl)-4-imidazolyl]-N-phenylcarbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[5-[(4-methylphenyl)carbamoyl]-3-(2-oxopropyl)imidazol-4-yl]-N-phenylcarbamimidothioate Traditional Name: 1-acetonyl-5-[(Z)-[anilino-(ethylthio)methylene]amino]-N-(p-tolyl)imidazole-4-carboxamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=C(N=CN1CC(=O)C)C(=O)NC2=CC=C(C=C2)C)NC3=CC=CC=C3

Isomeric SMILES

CCS/C(=N\C1=C(N=CN1CC(=O)C)C(=O)NC2=CC=C(C=C2)C)/NC3=CC=CC=C3

InChI

InChI=1S/C23H25N5O2S/c1-4-31-23(26-18-8-6-5-7-9-18)27-21-20(24-15-28(21)14-17(3)29)22(30)25-19-12-10-16(2)11-13-19/h5-13,15H,4,14H2,1-3H3,(H,25,30)(H,26,27)