N-(3-chlorophenyl)-2-[3-(4-ethylphenyl)-2-methyl-propyl]-2H-1,3-benzothiazole-3-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-2-[3-(4-ethylphenyl)-2-methyl-propyl]-2H-1,3-benzothiazole-3-carbothioamide Openeye Name: N-(3-chlorophenyl)-2-[3-(4-ethylphenyl)-2-methyl-propyl]-2H-1,3-benzothiazole-3-carbothioamide CAS Name: N-(3-chlorophenyl)-2-[3-(4-ethylphenyl)-2-methylpropyl]-2H-1,3-benzothiazole-3-carbothioamide IUPAC Name: N-(3-chlorophenyl)-2-[3-(4-ethylphenyl)-2-methylpropyl]-2H-1,3-benzothiazole-3-carbothioamide Traditional Name: N-(3-chlorophenyl)-2-[3-(4-ethylphenyl)-2-methyl-propyl]-2H-1,3-benzothiazole-3-carbothioamide Formula: C26H27ClN2S2 MolecularWeight: 467.08898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(C)CC2N(C3=CC=CC=C3S2)C(=S)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)CC(C)CC2N(C3=CC=CC=C3S2)C(=S)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H27ClN2S2/c1-3-19-11-13-20(14-12-19)15-18(2)16-25-29(23-9-4-5-10-24(23)31-25)26(30)28-22-8-6-7-21(27)17-22/h4-14,17-18,25H,3,15-16H2,1-2H3,(H,28,30)