4-[2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Openeye Name: 4-[2-[[3-acetamido-3-(p-tolyl)propanoyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxamide CAS Name: 4-[2-[[3-acetamido-3-(4-methylphenyl)-1-oxopropyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-[2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[2-[[3-acetamido-3-(p-tolyl)propanoyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxamide Formula: C20H21N5O3S MolecularWeight: 411.47744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)NC2=NC(=CS2)C3=CNC(=C3)C(=O)N)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)NC2=NC(=CS2)C3=CNC(=C3)C(=O)N)NC(=O)C

InChI

InChI=1S/C20H21N5O3S/c1-11-3-5-13(6-4-11)15(23-12(2)26)8-18(27)25-20-24-17(10-29-20)14-7-16(19(21)28)22-9-14/h3-7,9-10,15,22H,8H2,1-2H3,(H2,21,28)(H,23,26)(H,24,25,27)