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

Systemtic Name: 3-(5-azanylpentyl)-2-(3,5-dimethylphenyl)imino-N-(diphenylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: 3-(5-aminopentyl)-N-benzhydryl-2-(3,5-dimethylphenyl)imino-thiazole-4-carboxamide CAS Name: 3-(5-aminopentyl)-2-(3,5-dimethylphenyl)imino-N-(diphenylmethyl)-4-thiazolecarboxamide IUPAC Name: 3-(5-aminopentyl)-N-benzhydryl-2-(3,5-dimethylphenyl)imino-1,3-thiazole-4-carboxamide Traditional Name: 3-(5-aminopentyl)-N-benzhydryl-2-(3,5-dimethylphenyl)imino-4-thiazoline-4-carboxamide Formula: C30H34N4OS MolecularWeight: 498.68216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N=C2N(C(=CS2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)CCCCCN)C

Isomeric SMILES

CC1=CC(=CC(=C1)N=C2N(C(=CS2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)CCCCCN)C

InChI

InChI=1S/C30H34N4OS/c1-22-18-23(2)20-26(19-22)32-30-34(17-11-5-10-16-31)27(21-36-30)29(35)33-28(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-4,6-9,12-15,18-21,28H,5,10-11,16-17,31H2,1-2H3,(H,33,35)