N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-fluoranyl-N-propan-2-yl-benzamide

Systemtic Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-fluoranyl-N-propan-2-yl-benzamide Openeye Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-4-fluoro-N-isopropyl-benzamide CAS Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluoro-N-propan-2-ylbenzamide IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluoro-N-propan-2-ylbenzamide Traditional Name: 4-fluoro-N-[2-[homoveratryl(2-thenyl)amino]-2-keto-ethyl]-N-isopropyl-benzamide Formula: C27H31FN2O4S MolecularWeight: 498.609443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31FN2O4S/c1-19(2)30(27(32)21-8-10-22(28)11-9-21)18-26(31)29(17-23-6-5-15-35-23)14-13-20-7-12-24(33-3)25(16-20)34-4/h5-12,15-16,19H,13-14,17-18H2,1-4H3