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

Systemtic Name: N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CNC(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O3S/c1-26-23(29)17-19-7-11-21(12-8-19)27-25(32)28-24(30)20-9-13-22(14-10-20)31-16-15-18-5-3-2-4-6-18/h2-14H,15-17H2,1H3,(H,26,29)(H2,27,28,30,32)