ethyl 3-(2-oxidanylidenepropyl)-5-(phenylcarbamothioylamino)imidazole-4-carboxylate

Systemtic Name: ethyl 3-(2-oxidanylidenepropyl)-5-(phenylcarbamothioylamino)imidazole-4-carboxylate Openeye Name: ethyl 3-acetonyl-5-(phenylcarbamothioylamino)imidazole-4-carboxylate CAS Name: 5-[[anilino(sulfanylidene)methyl]amino]-3-(2-oxopropyl)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-oxopropyl)-5-(phenylcarbamothioylamino)imidazole-4-carboxylate Traditional Name: 3-acetonyl-5-(phenylthiocarbamoylamino)imidazole-4-carboxylic acid ethyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CN1CC(=O)C)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(N=CN1CC(=O)C)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C16H18N4O3S/c1-3-23-15(22)13-14(17-10-20(13)9-11(2)21)19-16(24)18-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H2,18,19,24)