N-[[4-(cyanomethyl)phenyl]carbamothioyl]-3-methoxy-benzamide

Systemtic Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-3-methoxy-benzamide Openeye Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-3-methoxy-benzamide CAS Name: N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]-3-methoxybenzamide IUPAC Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-3-methoxybenzamide Traditional Name: N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]-3-methoxy-benzamide Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C17H15N3O2S/c1-22-15-4-2-3-13(11-15)16(21)20-17(23)19-14-7-5-12(6-8-14)9-10-18/h2-8,11H,9H2,1H3,(H2,19,20,21,23)