butyl 4-[(4-cyanophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(4-cyanophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(4-cyanobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-cyanophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-cyanobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-cyanobenzoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-2-3-12-26-19(25)16-8-10-17(11-9-16)22-20(27)23-18(24)15-6-4-14(13-21)5-7-15/h4-11H,2-3,12H2,1H3,(H2,22,23,24,27)