4-butoxy-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C20H21N3O2S/c1-2-3-14-25-18-10-6-16(7-11-18)19(24)23-20(26)22-17-8-4-15(5-9-17)12-13-21/h4-11H,2-3,12,14H2,1H3,(H2,22,23,24,26)