N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-fluoranyl-N-propyl-benzamide

Systemtic Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-fluoranyl-N-propyl-benzamide Openeye Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-3-fluoro-N-propyl-benzamide CAS Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-3-fluoro-N-propylbenzamide IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluoro-N-propylbenzamide Traditional Name: 3-fluoro-N-[2-[homoveratryl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-propyl-benzamide Formula: C28H33FN2O4S MolecularWeight: 512.636023

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC2=C(C=CS2)C)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCCN(CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC2=C(C=CS2)C)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C28H33FN2O4S/c1-5-13-31(28(33)22-7-6-8-23(29)17-22)19-27(32)30(18-26-20(2)12-15-36-26)14-11-21-9-10-24(34-3)25(16-21)35-4/h6-10,12,15-17H,5,11,13-14,18-19H2,1-4H3