N-(heptylcarbamothioyl)-4-phenyl-benzamide

Systemtic Name: N-(heptylcarbamothioyl)-4-phenyl-benzamide Openeye Name: N-(heptylcarbamothioyl)-4-phenyl-benzamide CAS Name: N-[(heptylamino)-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-(heptylcarbamothioyl)-4-phenylbenzamide Traditional Name: N-(heptylthiocarbamoyl)-4-phenyl-benzamide Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCNC(=S)NC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2OS/c1-2-3-4-5-9-16-22-21(25)23-20(24)19-14-12-18(13-15-19)17-10-7-6-8-11-17/h6-8,10-15H,2-5,9,16H2,1H3,(H2,22,23,24,25)