4-tert-butyl-N-(quinolin-5-ylcarbamothioyl)benzamide

Systemtic Name: 4-tert-butyl-N-(quinolin-5-ylcarbamothioyl)benzamide Openeye Name: 4-tert-butyl-N-(5-quinolylcarbamothioyl)benzamide CAS Name: 4-tert-butyl-N-[(5-quinolinylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-(quinolin-5-ylcarbamothioyl)benzamide Traditional Name: 4-tert-butyl-N-(5-quinolylthiocarbamoyl)benzamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C21H21N3OS/c1-21(2,3)15-11-9-14(10-12-15)19(25)24-20(26)23-18-8-4-7-17-16(18)6-5-13-22-17/h4-13H,1-3H3,(H2,23,24,25,26)