ethyl 4-(pyridin-4-ylmethylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(pyridin-4-ylmethylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(4-pyridylmethylcarbamothioylamino)benzoate CAS Name: 4-[[(pyridin-4-ylmethylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(pyridin-4-ylmethylcarbamothioylamino)benzoate Traditional Name: 4-(4-pyridylmethylthiocarbamoylamino)benzoic acid ethyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=NC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=NC=C2

InChI

InChI=1S/C16H17N3O2S/c1-2-21-15(20)13-3-5-14(6-4-13)19-16(22)18-11-12-7-9-17-10-8-12/h3-10H,2,11H2,1H3,(H2,18,19,22)