N-(hexadecylcarbamothioyl)-3-methyl-benzamide

Systemtic Name: N-(hexadecylcarbamothioyl)-3-methyl-benzamide Openeye Name: N-(hexadecylcarbamothioyl)-3-methyl-benzamide CAS Name: N-[(hexadecylamino)-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-(hexadecylcarbamothioyl)-3-methylbenzamide Traditional Name: N-(cetylthiocarbamoyl)-3-methyl-benzamide Formula: C25H42N2OS MolecularWeight: 418.67878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42N2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-25(29)27-24(28)23-19-17-18-22(2)21-23/h17-19,21H,3-16,20H2,1-2H3,(H2,26,27,28,29)