N-(1-adamantylcarbamoyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]propionamide Formula: C24H30N4O3S MolecularWeight: 454.585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=CN4C5=CC(=CC=C5)OC

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=CN4C5=CC(=CC=C5)OC

InChI

InChI=1S/C24H30N4O3S/c1-15(32-23-25-6-7-28(23)19-4-3-5-20(11-19)31-2)21(29)26-22(30)27-24-12-16-8-17(13-24)10-18(9-16)14-24/h3-7,11,15-18H,8-10,12-14H2,1-2H3,(H2,26,27,29,30)