N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide

Systemtic Name: N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide Openeye Name: N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide CAS Name: N-[[(4-butoxyphenyl)methyl-(2-cyanoethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide Traditional Name: N-[(4-butoxybenzyl)-(2-cyanoethyl)thiocarbamoyl]benzamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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