ethyl 2-[3-(2-ethoxy-2-oxidanylidene-ethyl)-5-(phenylcarbamothioylamino)imidazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[3-(2-ethoxy-2-oxidanylidene-ethyl)-5-(phenylcarbamothioylamino)imidazol-4-yl]ethanoate Openeye Name: ethyl 2-[3-(2-ethoxy-2-oxo-ethyl)-5-(phenylcarbamothioylamino)imidazol-4-yl]acetate CAS Name: 2-[5-[[anilino(sulfanylidene)methyl]amino]-3-(2-ethoxy-2-oxoethyl)-4-imidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-(phenylcarbamothioylamino)imidazol-4-yl]acetate Traditional Name: 2-[3-(2-ethoxy-2-keto-ethyl)-5-(phenylthiocarbamoylamino)imidazol-4-yl]acetic acid ethyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=CN1CC(=O)OCC)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC1=C(N=CN1CC(=O)OCC)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C18H22N4O4S/c1-3-25-15(23)10-14-17(19-12-22(14)11-16(24)26-4-2)21-18(27)20-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H2,20,21,27)