[4-azanyl-2-[(4-piperazin-1-ylphenyl)amino]-1,3-thiazol-5-yl]-(4-fluoranyl-3-methoxy-phenyl)methanone

Systemtic Name: [4-azanyl-2-[(4-piperazin-1-ylphenyl)amino]-1,3-thiazol-5-yl]-(4-fluoranyl-3-methoxy-phenyl)methanone Openeye Name: [4-amino-2-(4-piperazin-1-ylanilino)thiazol-5-yl]-(4-fluoro-3-methoxy-phenyl)methanone CAS Name: [4-amino-2-[4-(1-piperazinyl)anilino]-5-thiazolyl]-(4-fluoro-3-methoxyphenyl)methanone IUPAC Name: [4-amino-2-(4-piperazin-1-ylanilino)-1,3-thiazol-5-yl]-(4-fluoro-3-methoxyphenyl)methanone Traditional Name: [4-amino-2-(4-piperazinoanilino)thiazol-5-yl]-(4-fluoro-3-methoxy-phenyl)methanone Formula: C21H22FN5O2S MolecularWeight: 427.495083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)N4CCNCC4)N)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)N4CCNCC4)N)F

InChI

InChI=1S/C21H22FN5O2S/c1-29-17-12-13(2-7-16(17)22)18(28)19-20(23)26-21(30-19)25-14-3-5-15(6-4-14)27-10-8-24-9-11-27/h2-7,12,24H,8-11,23H2,1H3,(H,25,26)