N-[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)thiazol-2-yl]benzofuran-2-carboxamide CAS Name: N-[4-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-thiazolyl]-2-benzofurancarboxamide IUPAC Name: N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)thiazol-2-yl]coumarilamide Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C2=CSC(=N2)NC(=O)C3=CC4=CC=CC=C4O3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C2=CSC(=N2)NC(=O)C3=CC4=CC=CC=C4O3)C

InChI

InChI=1S/C21H21N3O2S/c1-4-9-24-13(2)10-16(14(24)3)17-12-27-21(22-17)23-20(25)19-11-15-7-5-6-8-18(15)26-19/h5-8,10-12H,4,9H2,1-3H3,(H,22,23,25)