N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ylethyl)-3-(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-(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-(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-(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-(trifluoromethyl)benzamide Traditional Name: N-[2-[homoveratryl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-(2-pyrrolidinoethyl)-3-(trifluoromethyl)benzamide Formula: C32H38F3N3O4S MolecularWeight: 617.72203

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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

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

InChI

InChI=1S/C32H38F3N3O4S/c1-23-12-18-43-29(23)21-37(15-11-24-9-10-27(41-2)28(19-24)42-3)30(39)22-38(17-16-36-13-4-5-14-36)31(40)25-7-6-8-26(20-25)32(33,34)35/h6-10,12,18-20H,4-5,11,13-17,21-22H2,1-3H3