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

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C24H29N3O2S/c1-2-3-4-10-18-29-22-15-9-8-14-21(22)23(28)26-24(30)27(17-11-16-25)19-20-12-6-5-7-13-20/h5-9,12-15H,2-4,10-11,17-19H2,1H3,(H,26,28,30)