3-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-methyl-1-phenyl-thiourea

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-methyl-1-phenyl-thiourea Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-1-methyl-1-phenyl-thiourea CAS Name: 3-(1,3-dioxo-2-isoindolyl)-1-methyl-1-phenylthiourea IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-1-methyl-1-phenylthiourea Traditional Name: 1-methyl-1-phenyl-3-phthalimido-thiourea Formula: C16H13N3O2S MolecularWeight: 311.35832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=S)NN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CN(C1=CC=CC=C1)C(=S)NN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H13N3O2S/c1-18(11-7-3-2-4-8-11)16(22)17-19-14(20)12-9-5-6-10-13(12)15(19)21/h2-10H,1H3,(H,17,22)