2-[(5-cyanocyclohexa-1,5-dien-1-yl)carbamothioylamino]-2-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[(5-cyanocyclohexa-1,5-dien-1-yl)carbamothioylamino]-2-(4-fluorophenyl)ethanamide Openeye Name: 2-[(5-cyanocyclohexa-1,5-dien-1-yl)carbamothioylamino]-2-(4-fluorophenyl)acetamide CAS Name: 2-[[[(5-cyano-1-cyclohexa-1,5-dienyl)amino]-sulfanylidenemethyl]amino]-2-(4-fluorophenyl)acetamide IUPAC Name: 2-[(5-cyanocyclohexa-1,5-dien-1-yl)carbamothioylamino]-2-(4-fluorophenyl)acetamide Traditional Name: 2-[(5-cyanocyclohexa-1,5-dien-1-yl)thiocarbamoylamino]-2-(4-fluorophenyl)acetamide Formula: C16H15FN4OS MolecularWeight: 330.379903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)NC(=S)NC(C2=CC=C(C=C2)F)C(=O)N)C#N

Isomeric SMILES

C1CC(=CC(=C1)NC(=S)NC(C2=CC=C(C=C2)F)C(=O)N)C#N

InChI

InChI=1S/C16H15FN4OS/c17-12-6-4-11(5-7-12)14(15(19)22)21-16(23)20-13-3-1-2-10(8-13)9-18/h3-8,14H,1-2H2,(H2,19,22)(H2,20,21,23)