3-(5-azanylpentyl)-N-[[2,3-bis(fluoranyl)phenyl]methyl]-2-(3,5-dimethylphenyl)imino-1,3-thiazole-4-carboxamide

Systemtic Name: 3-(5-azanylpentyl)-N-[[2,3-bis(fluoranyl)phenyl]methyl]-2-(3,5-dimethylphenyl)imino-1,3-thiazole-4-carboxamide Openeye Name: 3-(5-aminopentyl)-N-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethylphenyl)imino-thiazole-4-carboxamide CAS Name: 3-(5-aminopentyl)-N-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethylphenyl)imino-4-thiazolecarboxamide IUPAC Name: 3-(5-aminopentyl)-N-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethylphenyl)imino-1,3-thiazole-4-carboxamide Traditional Name: 3-(5-aminopentyl)-N-(2,3-difluorobenzyl)-2-(3,5-dimethylphenyl)imino-4-thiazoline-4-carboxamide Formula: C24H28F2N4OS MolecularWeight: 458.567126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N=C2N(C(=CS2)C(=O)NCC3=C(C(=CC=C3)F)F)CCCCCN)C

Isomeric SMILES

CC1=CC(=CC(=C1)N=C2N(C(=CS2)C(=O)NCC3=C(C(=CC=C3)F)F)CCCCCN)C

InChI

InChI=1S/C24H28F2N4OS/c1-16-11-17(2)13-19(12-16)29-24-30(10-5-3-4-9-27)21(15-32-24)23(31)28-14-18-7-6-8-20(25)22(18)26/h6-8,11-13,15H,3-5,9-10,14,27H2,1-2H3,(H,28,31)