3-acetamido-N-[4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]propanamide

Systemtic Name: 3-acetamido-N-[4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]propanamide Openeye Name: 3-acetamido-N-[4-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]propanamide CAS Name: 3-acetamido-N-[4-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-thiazolyl]propanamide IUPAC Name: 3-acetamido-N-[4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]propanamide Traditional Name: 3-acetamido-N-[4-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)CCNC(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)CCNC(=O)C

InChI

InChI=1S/C21H24N4O2S/c1-14-11-18(15(2)25(14)12-17-7-5-4-6-8-17)19-13-28-21(23-19)24-20(27)9-10-22-16(3)26/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,26)(H,23,24,27)