(1E)-1-(4-oxidanylidene-6,7-dihydro-5H-1,3-benzoxathiol-2-ylidene)-3-(phenylmethyl)urea

Systemtic Name: (1E)-1-(4-oxidanylidene-6,7-dihydro-5H-1,3-benzoxathiol-2-ylidene)-3-(phenylmethyl)urea Openeye Name: (3E)-1-benzyl-3-(4-oxo-6,7-dihydro-5H-1,3-benzoxathiol-2-ylidene)urea CAS Name: (1E)-1-(4-oxo-6,7-dihydro-5H-1,3-benzoxathiol-2-ylidene)-3-(phenylmethyl)urea IUPAC Name: (3E)-1-benzyl-3-(4-oxo-6,7-dihydro-5H-1,3-benzoxathiol-2-ylidene)urea Traditional Name: (3E)-1-benzyl-3-(4-keto-6,7-dihydro-5H-1,3-benzoxathiol-2-ylidene)urea Formula: C15H14N2O3S MolecularWeight: 302.34826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)SC(=NC(=O)NCC3=CC=CC=C3)O2

Isomeric SMILES

C1CC2=C(C(=O)C1)S/C(=N/C(=O)NCC3=CC=CC=C3)/O2

InChI

InChI=1S/C15H14N2O3S/c18-11-7-4-8-12-13(11)21-15(20-12)17-14(19)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,16,19)/b17-15+