N-[[4-(cyanomethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C18H15N3O3S MolecularWeight: 353.395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C18H15N3O3S/c19-8-7-12-1-4-14(5-2-12)20-18(25)21-17(22)13-3-6-15-16(11-13)24-10-9-23-15/h1-6,11H,7,9-10H2,(H2,20,21,22,25)