1-[4-azanyl-5-cyano-1,3-bis(oxidanylidene)-6,7-diphenyl-isoindol-2-yl]-3-phenyl-thiourea

Systemtic Name: 1-[4-azanyl-5-cyano-1,3-bis(oxidanylidene)-6,7-diphenyl-isoindol-2-yl]-3-phenyl-thiourea Openeye Name: 1-(4-amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl)-3-phenyl-thiourea CAS Name: 1-(4-amino-5-cyano-1,3-dioxo-6,7-diphenyl-2-isoindolyl)-3-phenylthiourea IUPAC Name: 1-(4-amino-5-cyano-1,3-dioxo-6,7-diphenylisoindol-2-yl)-3-phenylthiourea Traditional Name: 1-(4-amino-5-cyano-1,3-diketo-6,7-diphenyl-isoindolin-2-yl)-3-phenyl-thiourea Formula: C28H19N5O2S MolecularWeight: 489.54776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)N(C3=O)NC(=S)NC5=CC=CC=C5)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)N(C3=O)NC(=S)NC5=CC=CC=C5)N)C#N

InChI

InChI=1S/C28H19N5O2S/c29-16-20-21(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23-24(25(20)30)27(35)33(26(23)34)32-28(36)31-19-14-8-3-9-15-19/h1-15H,30H2,(H2,31,32,36)