N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-[2-(cyclooctylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[[2-(cyclooctylamino)-2-oxoethyl]thio]benzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-[[2-(cyclooctylamino)-2-keto-ethyl]thio]benzamide Formula: C32H36N4O2S MolecularWeight: 540.71884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)NC(CC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)N[C@@H](CC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C32H36N4O2S/c37-30(33-24-15-7-2-1-3-8-16-24)22-39-29-20-12-9-17-25(29)32(38)36-28(21-23-13-5-4-6-14-23)31-34-26-18-10-11-19-27(26)35-31/h4-6,9-14,17-20,24,28H,1-3,7-8,15-16,21-22H2,(H,33,37)(H,34,35)(H,36,38)/t28-/m0/s1