3-(5-azanylpentyl)-2-(3,5-dimethylphenyl)imino-N-phenethyl-1,3-thiazole-4-carboxamide

Systemtic Name: 3-(5-azanylpentyl)-2-(3,5-dimethylphenyl)imino-N-phenethyl-1,3-thiazole-4-carboxamide Openeye Name: 3-(5-aminopentyl)-2-(3,5-dimethylphenyl)imino-N-phenethyl-thiazole-4-carboxamide CAS Name: 3-(5-aminopentyl)-2-(3,5-dimethylphenyl)imino-N-phenethyl-4-thiazolecarboxamide IUPAC Name: 3-(5-aminopentyl)-2-(3,5-dimethylphenyl)imino-N-phenethyl-1,3-thiazole-4-carboxamide Traditional Name: 3-(5-aminopentyl)-2-(3,5-dimethylphenyl)imino-N-phenethyl-4-thiazoline-4-carboxamide Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N=C2N(C(=CS2)C(=O)NCCC3=CC=CC=C3)CCCCCN)C

Isomeric SMILES

CC1=CC(=CC(=C1)N=C2N(C(=CS2)C(=O)NCCC3=CC=CC=C3)CCCCCN)C

InChI

InChI=1S/C25H32N4OS/c1-19-15-20(2)17-22(16-19)28-25-29(14-8-4-7-12-26)23(18-31-25)24(30)27-13-11-21-9-5-3-6-10-21/h3,5-6,9-10,15-18H,4,7-8,11-14,26H2,1-2H3,(H,27,30)