N-(3-chlorophenyl)-2-(5,5-diphenylpentyl)-2H-1,3-benzothiazole-3-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-2-(5,5-diphenylpentyl)-2H-1,3-benzothiazole-3-carbothioamide Openeye Name: N-(3-chlorophenyl)-2-(5,5-diphenylpentyl)-2H-1,3-benzothiazole-3-carbothioamide CAS Name: N-(3-chlorophenyl)-2-(5,5-diphenylpentyl)-2H-1,3-benzothiazole-3-carbothioamide IUPAC Name: N-(3-chlorophenyl)-2-(5,5-diphenylpentyl)-2H-1,3-benzothiazole-3-carbothioamide Traditional Name: N-(3-chlorophenyl)-2-(5,5-diphenylpentyl)-2H-1,3-benzothiazole-3-carbothioamide Formula: C31H29ClN2S2 MolecularWeight: 529.15836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCCC2N(C3=CC=CC=C3S2)C(=S)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CCCCC2N(C3=CC=CC=C3S2)C(=S)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C31H29ClN2S2/c32-25-16-11-17-26(22-25)33-31(35)34-28-19-8-9-20-29(28)36-30(34)21-10-7-18-27(23-12-3-1-4-13-23)24-14-5-2-6-15-24/h1-6,8-9,11-17,19-20,22,27,30H,7,10,18,21H2,(H,33,35)