4-tert-butyl-N-[5-[[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methyl-phenyl-amino]methyl]-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[5-[[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methyl-phenyl-amino]methyl]-1,3-thiazol-2-yl]benzamide Openeye Name: N-[5-[[N-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]anilino]methyl]thiazol-2-yl]-4-tert-butyl-benzamide CAS Name: N-[5-[[N-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methyl]anilino]methyl]-2-thiazolyl]-4-tert-butylbenzamide IUPAC Name: N-[5-[[N-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]anilino]methyl]-1,3-thiazol-2-yl]-4-tert-butylbenzamide Traditional Name: N-[5-[(N-[3-(4-acetylpiperazine-1-carbonyl)benzyl]anilino)methyl]thiazol-2-yl]-4-tert-butyl-benzamide Formula: C35H39N5O3S MolecularWeight: 609.78086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CN(CC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CN(CC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C5=CC=CC=C5

InChI

InChI=1S/C35H39N5O3S/c1-25(41)38-17-19-39(20-18-38)33(43)28-10-8-9-26(21-28)23-40(30-11-6-5-7-12-30)24-31-22-36-34(44-31)37-32(42)27-13-15-29(16-14-27)35(2,3)4/h5-16,21-22H,17-20,23-24H2,1-4H3,(H,36,37,42)