ethyl 4-(2-acetamidoethylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(2-acetamidoethylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(2-acetamidoethylcarbamothioylamino)benzoate CAS Name: 4-[[(2-acetamidoethylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-acetamidoethylcarbamothioylamino)benzoate Traditional Name: 4-(2-acetamidoethylthiocarbamoylamino)benzoic acid ethyl ester Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCNC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCNC(=O)C

InChI

InChI=1S/C14H19N3O3S/c1-3-20-13(19)11-4-6-12(7-5-11)17-14(21)16-9-8-15-10(2)18/h4-7H,3,8-9H2,1-2H3,(H,15,18)(H2,16,17,21)