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

Systemtic Name: 4-butoxy-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-butoxy-benzamide CAS Name: 4-butoxy-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-butoxybenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-4-butoxy-benzamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O2S/c1-2-3-16-27-20-12-10-19(11-13-20)21(26)24-22(28)25(15-7-14-23)17-18-8-5-4-6-9-18/h4-6,8-13H,2-3,7,15-17H2,1H3,(H,24,26,28)