N-[(4-phenylazanylphenyl)carbamothioyl]octanamide

Systemtic Name: N-[(4-phenylazanylphenyl)carbamothioyl]octanamide Openeye Name: N-[(4-anilinophenyl)carbamothioyl]octanamide CAS Name: N-[(4-anilinoanilino)-sulfanylidenemethyl]octanamide IUPAC Name: N-[(4-anilinophenyl)carbamothioyl]octanamide Traditional Name: N-[(4-anilinophenyl)thiocarbamoyl]caprylamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC2=CC=CC=C2

InChI

InChI=1S/C21H27N3OS/c1-2-3-4-5-9-12-20(25)24-21(26)23-19-15-13-18(14-16-19)22-17-10-7-6-8-11-17/h6-8,10-11,13-16,22H,2-5,9,12H2,1H3,(H2,23,24,25,26)