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

Systemtic Name: propyl 4-[(4-cyanophenyl)carbonylcarbamothioylamino]-2-oxidanyl-benzoate Openeye Name: propyl 4-[(4-cyanobenzoyl)carbamothioylamino]-2-hydroxy-benzoate CAS Name: 4-[[[[(4-cyanophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-hydroxybenzoic acid propyl ester IUPAC Name: propyl 4-[(4-cyanobenzoyl)carbamothioylamino]-2-hydroxybenzoate Traditional Name: 4-[(4-cyanobenzoyl)thiocarbamoylamino]-2-hydroxy-benzoic acid propyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S/c1-2-9-26-18(25)15-8-7-14(10-16(15)23)21-19(27)22-17(24)13-5-3-12(11-20)4-6-13/h3-8,10,23H,2,9H2,1H3,(H2,21,22,24,27)