[4-azanyl-2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone

Systemtic Name: [4-azanyl-2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone Openeye Name: [4-amino-2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone CAS Name: [4-amino-2-[3-fluoro-4-(4-methyl-1-piperazinyl)anilino]-5-thiazolyl]-(1,3-benzodioxol-5-yl)methanone IUPAC Name: [4-amino-2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone Traditional Name: [4-amino-2-[3-fluoro-4-(4-methylpiperazino)anilino]thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone Formula: C22H22FN5O3S MolecularWeight: 455.505183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC(=C(S3)C(=O)C4=CC5=C(C=C4)OCO5)N)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC(=C(S3)C(=O)C4=CC5=C(C=C4)OCO5)N)F

InChI

InChI=1S/C22H22FN5O3S/c1-27-6-8-28(9-7-27)16-4-3-14(11-15(16)23)25-22-26-21(24)20(32-22)19(29)13-2-5-17-18(10-13)31-12-30-17/h2-5,10-11H,6-9,12,24H2,1H3,(H,25,26)