3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C29H33N3O4S MolecularWeight: 519.65502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCCCN5C6=CC=CC=C6NC5=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)OCCCN5C6=CC=CC=C6NC5=O

InChI

InChI=1S/C29H33N3O4S/c33-26(31-29-15-19-12-20(16-29)14-21(13-19)17-29)18-37-25-9-4-1-6-22(25)27(34)36-11-5-10-32-24-8-3-2-7-23(24)30-28(32)35/h1-4,6-9,19-21H,5,10-18H2,(H,30,35)(H,31,33)