N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-(4-pyrrol-1-ylphenyl)ethanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-(4-pyrrol-1-ylphenyl)ethanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-2-(4-pyrrol-1-ylphenyl)acetamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-2-[4-(1-pyrrolyl)phenyl]acetamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-(4-pyrrol-1-ylphenyl)acetamide Traditional Name: N-(4-methyl-5-piperonyl-thiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CC2=CC=C(C=C2)N3C=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CC2=CC=C(C=C2)N3C=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21N3O3S/c1-16-22(13-18-6-9-20-21(12-18)30-15-29-20)31-24(25-16)26-23(28)14-17-4-7-19(8-5-17)27-10-2-3-11-27/h2-12H,13-15H2,1H3,(H,25,26,28)