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

Systemtic Name: 3-(5-azanylpentyl)-2-(3,5-dimethylphenyl)imino-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide Openeye Name: 3-(5-aminopentyl)-2-(3,5-dimethylphenyl)imino-N-(1-phenylethyl)thiazole-4-carboxamide CAS Name: 3-(5-aminopentyl)-2-(3,5-dimethylphenyl)imino-N-(1-phenylethyl)-4-thiazolecarboxamide IUPAC Name: 3-(5-aminopentyl)-2-(3,5-dimethylphenyl)imino-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide Traditional Name: 3-(5-aminopentyl)-2-(3,5-dimethylphenyl)imino-N-(1-phenylethyl)-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)NC(C)C3=CC=CC=C3)CCCCCN)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4OS/c1-18-14-19(2)16-22(15-18)28-25-29(13-9-5-8-12-26)23(17-31-25)24(30)27-20(3)21-10-6-4-7-11-21/h4,6-7,10-11,14-17,20H,5,8-9,12-13,26H2,1-3H3,(H,27,30)