N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-3-methoxy-N-prop-2-enyl-benzamide

Systemtic Name: N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-3-methoxy-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[2-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-3-methoxy-benzamide CAS Name: N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-methoxy-N-prop-2-enylbenzamide IUPAC Name: N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-methoxy-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[2-[(4-fluorobenzyl)-(2-thenyl)amino]-2-keto-ethyl]-3-methoxy-benzamide Formula: C25H25FN2O3S MolecularWeight: 452.541003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N(CC=C)CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N(CC=C)CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3

InChI

InChI=1S/C25H25FN2O3S/c1-3-13-27(25(30)20-6-4-7-22(15-20)31-2)18-24(29)28(17-23-8-5-14-32-23)16-19-9-11-21(26)12-10-19/h3-12,14-15H,1,13,16-18H2,2H3