N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[benzyl(2-cyanoethyl)thiocarbamoyl]benzamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O2S/c1-2-3-9-17-28-21-14-8-7-13-20(21)22(27)25-23(29)26(16-10-15-24)18-19-11-5-4-6-12-19/h4-8,11-14H,2-3,9-10,16-18H2,1H3,(H,25,27,29)