N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-(2-pyrrolidin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-[2-(1-pyrrolidinyl)ethyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[2-[homoveratryl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-(2-pyrrolidinoethyl)-3,5-bis(trifluoromethyl)benzamide Formula: C33H37F6N3O4S MolecularWeight: 685.719999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)CN(CCN3CCCC3)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=C(SC=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)CN(CCN3CCCC3)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C33H37F6N3O4S/c1-22-9-15-47-29(22)20-41(12-8-23-6-7-27(45-2)28(16-23)46-3)30(43)21-42(14-13-40-10-4-5-11-40)31(44)24-17-25(32(34,35)36)19-26(18-24)33(37,38)39/h6-7,9,15-19H,4-5,8,10-14,20-21H2,1-3H3