N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ylethyl)adamantane-1-carboxamide

Systemtic Name: N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ylethyl)adamantane-1-carboxamide Openeye Name: N-[2-[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-(2-pyrrolidin-1-ylethyl)adamantane-1-carboxamide CAS Name: N-[2-[(4-fluorophenyl)methyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-[2-(1-pyrrolidinyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)adamantane-1-carboxamide Traditional Name: N-[2-[(4-fluorobenzyl)-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-(2-pyrrolidinoethyl)adamantane-1-carboxamide Formula: C32H42FN3O2S MolecularWeight: 551.758183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC=C(C=C2)F)C(=O)CN(CCN3CCCC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC=C(C=C2)F)C(=O)CN(CCN3CCCC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C32H42FN3O2S/c1-23-8-13-39-29(23)21-36(20-24-4-6-28(33)7-5-24)30(37)22-35(12-11-34-9-2-3-10-34)31(38)32-17-25-14-26(18-32)16-27(15-25)19-32/h4-8,13,25-27H,2-3,9-12,14-22H2,1H3