5-[(4-tert-butylphenyl)methylidene]-2-[4-(diphenylmethyl)piperazin-1-yl]-1,3-thiazol-4-one

Systemtic Name: 5-[(4-tert-butylphenyl)methylidene]-2-[4-(diphenylmethyl)piperazin-1-yl]-1,3-thiazol-4-one Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-5-[(4-tert-butylphenyl)methylene]thiazol-4-one CAS Name: 5-[(4-tert-butylphenyl)methylidene]-2-[4-(diphenylmethyl)-1-piperazinyl]-4-thiazolone IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazol-4-one Traditional Name: 2-(4-benzhydrylpiperazino)-5-(4-tert-butylbenzylidene)-2-thiazolin-4-one Formula: C31H33N3OS MolecularWeight: 495.67822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H33N3OS/c1-31(2,3)26-16-14-23(15-17-26)22-27-29(35)32-30(36-27)34-20-18-33(19-21-34)28(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,22,28H,18-21H2,1-3H3