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

Systemtic Name: N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoyl]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)NC

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)NC

InChI

InChI=1S/C22H27N3O3S/c1-3-4-7-14-28-19-9-6-5-8-18(19)21(27)25-22(29)24-17-12-10-16(11-13-17)15-20(26)23-2/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,23,26)(H2,24,25,27,29)