N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoyl]-3-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(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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