N-[2,5-diethoxy-4-[(3-methylphenyl)carbamothioylamino]phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2,5-diethoxy-4-[(3-methylphenyl)carbamothioylamino]phenyl]-4-fluoranyl-benzamide Openeye Name: N-[2,5-diethoxy-4-(m-tolylcarbamothioylamino)phenyl]-4-fluoro-benzamide CAS Name: N-[2,5-diethoxy-4-[[(3-methylanilino)-sulfanylidenemethyl]amino]phenyl]-4-fluorobenzamide IUPAC Name: N-[2,5-diethoxy-4-[(3-methylphenyl)carbamothioylamino]phenyl]-4-fluorobenzamide Traditional Name: N-[2,5-diethoxy-4-(m-tolylthiocarbamoylamino)phenyl]-4-fluoro-benzamide Formula: C25H26FN3O3S MolecularWeight: 467.555643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)F)OCC)NC(=S)NC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)F)OCC)NC(=S)NC3=CC=CC(=C3)C

InChI

InChI=1S/C25H26FN3O3S/c1-4-31-22-15-21(29-25(33)27-19-8-6-7-16(3)13-19)23(32-5-2)14-20(22)28-24(30)17-9-11-18(26)12-10-17/h6-15H,4-5H2,1-3H3,(H,28,30)(H2,27,29,33)