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

Systemtic Name: N-[2-cyanoethyl-[(4-propoxyphenyl)methyl]carbamothioyl]benzamide Openeye Name: N-[2-cyanoethyl-[(4-propoxyphenyl)methyl]carbamothioyl]benzamide CAS Name: N-[[2-cyanoethyl-[(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[2-cyanoethyl-[(4-propoxyphenyl)methyl]carbamothioyl]benzamide Traditional Name: N-[2-cyanoethyl-(4-propoxybenzyl)thiocarbamoyl]benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCOC1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O2S/c1-2-15-26-19-11-9-17(10-12-19)16-24(14-6-13-22)21(27)23-20(25)18-7-4-3-5-8-18/h3-5,7-12H,2,6,14-16H2,1H3,(H,23,25,27)