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

Systemtic Name: N-[2-cyanoethyl-[(4-methoxyphenyl)methyl]carbamothioyl]benzamide Openeye Name: N-[2-cyanoethyl-[(4-methoxyphenyl)methyl]carbamothioyl]benzamide CAS Name: N-[[2-cyanoethyl-[(4-methoxyphenyl)methyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[2-cyanoethyl-[(4-methoxyphenyl)methyl]carbamothioyl]benzamide Traditional Name: N-[2-cyanoethyl(p-anisyl)thiocarbamoyl]benzamide Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H19N3O2S/c1-24-17-10-8-15(9-11-17)14-22(13-5-12-20)19(25)21-18(23)16-6-3-2-4-7-16/h2-4,6-11H,5,13-14H2,1H3,(H,21,23,25)