3-[[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]ethanoylamino]methyl]-N-phenyl-benzamide

Systemtic Name: 3-[[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]ethanoylamino]methyl]-N-phenyl-benzamide Openeye Name: 3-[[[2-[2,5-dimethyl-3-(2-methylthiazol-4-yl)pyrrol-1-yl]acetyl]amino]methyl]-N-phenyl-benzamide CAS Name: 3-[[[2-[2,5-dimethyl-3-(2-methyl-4-thiazolyl)-1-pyrrolyl]-1-oxoethyl]amino]methyl]-N-phenylbenzamide IUPAC Name: 3-[[[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]amino]methyl]-N-phenylbenzamide Traditional Name: 3-[[[2-[2,5-dimethyl-3-(2-methylthiazol-4-yl)pyrrol-1-yl]acetyl]amino]methyl]-N-phenyl-benzamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(=O)NCC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3)C)C4=CSC(=N4)C

Isomeric SMILES

CC1=CC(=C(N1CC(=O)NCC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3)C)C4=CSC(=N4)C

InChI

InChI=1S/C26H26N4O2S/c1-17-12-23(24-16-33-19(3)28-24)18(2)30(17)15-25(31)27-14-20-8-7-9-21(13-20)26(32)29-22-10-5-4-6-11-22/h4-13,16H,14-15H2,1-3H3,(H,27,31)(H,29,32)