4-(cyclopropylcarbonylamino)-N-[(4-fluorophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide

Systemtic Name: 4-(cyclopropylcarbonylamino)-N-[(4-fluorophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide Openeye Name: 4-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-3-phenyl-isothiazole-5-carboxamide CAS Name: 4-[[cyclopropyl(oxo)methyl]amino]-N-[(4-fluorophenyl)methyl]-3-phenyl-5-isothiazolecarboxamide IUPAC Name: 4-(cyclopropanecarbonylamino)-N-[(4-fluorophenyl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide Traditional Name: 4-(cyclopropanecarbonylamino)-N-(4-fluorobenzyl)-3-phenyl-isothiazole-5-carboxamide Formula: C21H18FN3O2S MolecularWeight: 395.449923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=C(SN=C2C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CC1C(=O)NC2=C(SN=C2C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN3O2S/c22-16-10-6-13(7-11-16)12-23-21(27)19-18(24-20(26)15-8-9-15)17(25-28-19)14-4-2-1-3-5-14/h1-7,10-11,15H,8-9,12H2,(H,23,27)(H,24,26)