ethyl 4-[(4-cyanophenyl)carbonylcarbamothioylamino]-2-oxidanyl-benzoate

Systemtic Name: ethyl 4-[(4-cyanophenyl)carbonylcarbamothioylamino]-2-oxidanyl-benzoate Openeye Name: ethyl 4-[(4-cyanobenzoyl)carbamothioylamino]-2-hydroxy-benzoate CAS Name: 4-[[[[(4-cyanophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-cyanobenzoyl)carbamothioylamino]-2-hydroxybenzoate Traditional Name: 4-[(4-cyanobenzoyl)thiocarbamoylamino]-2-hydroxy-benzoic acid ethyl ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C#N)O

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C18H15N3O4S/c1-2-25-17(24)14-8-7-13(9-15(14)22)20-18(26)21-16(23)12-5-3-11(10-19)4-6-12/h3-9,22H,2H2,1H3,(H2,20,21,23,26)