3-chloranyl-N-(hexadecylcarbamothioyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(hexadecylcarbamothioyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(hexadecylcarbamothioyl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(hexadecylamino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(hexadecylcarbamothioyl)-1-benzothiophene-2-carboxamide Traditional Name: N-(cetylthiocarbamoyl)-3-chloro-benzothiophene-2-carboxamide Formula: C26H39ClN2OS2 MolecularWeight: 495.18366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C26H39ClN2OS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-28-26(31)29-25(30)24-23(27)21-18-15-16-19-22(21)32-24/h15-16,18-19H,2-14,17,20H2,1H3,(H2,28,29,30,31)