N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[benzyl(2-cyanoethyl)thiocarbamoyl]benzamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

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