ethyl 4-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate CAS Name: 4-[[[3-(1-imidazolyl)propylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate Traditional Name: 4-(3-imidazol-1-ylpropylthiocarbamoylamino)benzoic acid ethyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2C=CN=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2C=CN=C2

InChI

InChI=1S/C16H20N4O2S/c1-2-22-15(21)13-4-6-14(7-5-13)19-16(23)18-8-3-10-20-11-9-17-12-20/h4-7,9,11-12H,2-3,8,10H2,1H3,(H2,18,19,23)