N-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-[(3-fluorophenyl)methylamino]-1,3-thiazole-5-carboxamide

Systemtic Name: N-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-[(3-fluorophenyl)methylamino]-1,3-thiazole-5-carboxamide Openeye Name: N-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-[(3-fluorophenyl)methylamino]thiazole-5-carboxamide CAS Name: N-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-2-[(3-fluorophenyl)methylamino]-5-thiazolecarboxamide IUPAC Name: N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(3-fluorophenyl)methylamino]-1,3-thiazole-5-carboxamide Traditional Name: N-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]-2-[(3-fluorobenzyl)amino]thiazole-5-carboxamide Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC(=O)C3=CN=C(S3)NCC4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC(=O)C3=CN=C(S3)NCC4=CC(=CC=C4)F

InChI

InChI=1S/C22H21FN4O2S/c1-13-5-6-15(20(28)26-17-7-8-17)10-18(13)27-21(29)19-12-25-22(30-19)24-11-14-3-2-4-16(23)9-14/h2-6,9-10,12,17H,7-8,11H2,1H3,(H,24,25)(H,26,28)(H,27,29)