(1Z)-1-[2-(2-oxidanylidenepropyl)-3H-isoindol-1-ylidene]-3-phenyl-thiourea

Systemtic Name: (1Z)-1-[2-(2-oxidanylidenepropyl)-3H-isoindol-1-ylidene]-3-phenyl-thiourea Openeye Name: (1Z)-1-(2-acetonylisoindolin-1-ylidene)-3-phenyl-thiourea CAS Name: (1Z)-1-[2-(2-oxopropyl)-3H-isoindol-1-ylidene]-3-phenylthiourea IUPAC Name: (1Z)-1-[2-(2-oxopropyl)-3H-isoindol-1-ylidene]-3-phenylthiourea Traditional Name: (1Z)-1-(2-acetonylisoindolin-1-ylidene)-3-phenyl-thiourea Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1CC2=CC=CC=C2C1=NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC(=O)CN\1CC2=CC=CC=C2/C1=N/C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C18H17N3OS/c1-13(22)11-21-12-14-7-5-6-10-16(14)17(21)20-18(23)19-15-8-3-2-4-9-15/h2-10H,11-12H2,1H3,(H,19,23)/b20-17-