N-[[5-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[5-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[5-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methyl-thiazol-2-yl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[[5-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-4-methyl-2-thiazolyl]amino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[5-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[5-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]-4-methyl-thiazol-2-yl]thiocarbamoyl]-2-fluoro-benzamide Formula: C23H20FN3O4S2 MolecularWeight: 485.551003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=CC=C2F)C(=O)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=CC=C2F)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H20FN3O4S2/c1-13-20(17(28)10-8-14-9-11-18(30-2)19(12-14)31-3)33-23(25-13)27-22(32)26-21(29)15-6-4-5-7-16(15)24/h4-12H,1-3H3,(H2,25,26,27,29,32)/b10-8+