2-[[(4-pentylphenyl)carbonyl-(phenylmethyl)amino]methyl]-N-(phenylmethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(4-pentylphenyl)carbonyl-(phenylmethyl)amino]methyl]-N-(phenylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: N-benzyl-2-[[benzyl-(4-pentylbenzoyl)amino]methyl]thiazole-4-carboxamide CAS Name: 2-[[[oxo-(4-pentylphenyl)methyl]-(phenylmethyl)amino]methyl]-N-(phenylmethyl)-4-thiazolecarboxamide IUPAC Name: N-benzyl-2-[[benzyl-(4-pentylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-amylbenzoyl)-benzyl-amino]methyl]-N-benzyl-thiazole-4-carboxamide Formula: C31H33N3O2S MolecularWeight: 511.67762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=NC(=CS3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=NC(=CS3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C31H33N3O2S/c1-2-3-6-11-24-16-18-27(19-17-24)31(36)34(21-26-14-9-5-10-15-26)22-29-33-28(23-37-29)30(35)32-20-25-12-7-4-8-13-25/h4-5,7-10,12-19,23H,2-3,6,11,20-22H2,1H3,(H,32,35)