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

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

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