ethyl 4-(acetamidocarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(acetamidocarbamothioylamino)benzoate Openeye Name: ethyl 4-(acetamidocarbamothioylamino)benzoate CAS Name: 4-[[(acetylhydrazo)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(acetamidocarbamothioylamino)benzoate Traditional Name: 4-(acetamidothiocarbamoylamino)benzoic acid ethyl ester Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O3S/c1-3-18-11(17)9-4-6-10(7-5-9)13-12(19)15-14-8(2)16/h4-7H,3H2,1-2H3,(H,14,16)(H2,13,15,19)