butan-2-yl 4-[(4-cyanophenyl)carbonylcarbamothioylamino]-2-oxidanyl-benzoate

Systemtic Name: butan-2-yl 4-[(4-cyanophenyl)carbonylcarbamothioylamino]-2-oxidanyl-benzoate Openeye Name: sec-butyl 4-[(4-cyanobenzoyl)carbamothioylamino]-2-hydroxy-benzoate CAS Name: 4-[[[[(4-cyanophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-hydroxybenzoic acid butan-2-yl ester IUPAC Name: butan-2-yl 4-[(4-cyanobenzoyl)carbamothioylamino]-2-hydroxybenzoate Traditional Name: 4-[(4-cyanobenzoyl)thiocarbamoylamino]-2-hydroxy-benzoic acid sec-butyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c1-3-12(2)27-19(26)16-9-8-15(10-17(16)24)22-20(28)23-18(25)14-6-4-13(11-21)5-7-14/h4-10,12,24H,3H2,1-2H3,(H2,22,23,25,28)