N-(hexadecylcarbamothioyl)-4-phenyl-benzamide

Systemtic Name: N-(hexadecylcarbamothioyl)-4-phenyl-benzamide Openeye Name: N-(hexadecylcarbamothioyl)-4-phenyl-benzamide CAS Name: N-[(hexadecylamino)-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-(hexadecylcarbamothioyl)-4-phenylbenzamide Traditional Name: N-(cetylthiocarbamoyl)-4-phenyl-benzamide Formula: C30H44N2OS MolecularWeight: 480.74816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-31-30(34)32-29(33)28-23-21-27(22-24-28)26-19-16-15-17-20-26/h15-17,19-24H,2-14,18,25H2,1H3,(H2,31,32,33,34)