4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-N-phenyl-1,3-thiazol-2-amine

Systemtic Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-N-phenyl-1,3-thiazol-2-amine Openeye Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-N-phenyl-thiazol-2-amine CAS Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-N-phenyl-2-thiazolamine IUPAC Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-N-phenyl-1,3-thiazol-2-amine Traditional Name: [4-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)thiazol-2-yl]-phenyl-amine Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C4=CSC(=N4)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C4=CSC(=N4)NC5=CC=CC=C5

InChI

InChI=1S/C23H21N3O2S/c1-15-10-19(20-13-29-23(25-20)24-18-6-4-3-5-7-18)16(2)26(15)12-17-8-9-21-22(11-17)28-14-27-21/h3-11,13H,12,14H2,1-2H3,(H,24,25)