N-[(3-oxidanylidene-1H-2-benzofuran-5-yl)carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[(3-oxidanylidene-1H-2-benzofuran-5-yl)carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[(3-oxo-1H-isobenzofuran-5-yl)carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[(3-oxo-1H-isobenzofuran-5-yl)amino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[(3-oxo-1H-2-benzofuran-5-yl)carbamothioyl]-3-phenylpropanamide Traditional Name: N-[(3-ketophthalan-5-yl)thiocarbamoyl]-3-phenyl-propionamide Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3)C(=O)O1

Isomeric SMILES

C1C2=C(C=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3)C(=O)O1

InChI

InChI=1S/C18H16N2O3S/c21-16(9-6-12-4-2-1-3-5-12)20-18(24)19-14-8-7-13-11-23-17(22)15(13)10-14/h1-5,7-8,10H,6,9,11H2,(H2,19,20,21,24)