N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Openeye Name: N-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide CAS Name: N-[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-2-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Traditional Name: N-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoyl]-2-(2-phenoxyethoxy)benzamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

Isomeric SMILES

CNC(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O4S/c1-26-23(29)17-18-11-13-19(14-12-18)27-25(33)28-24(30)21-9-5-6-10-22(21)32-16-15-31-20-7-3-2-4-8-20/h2-14H,15-17H2,1H3,(H,26,29)(H2,27,28,30,33)