N-[3-(3-acetamidophenoxy)propyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[3-(3-acetamidophenoxy)propyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[3-(3-acetamidophenoxy)propyl]-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-[3-(3-acetamidophenoxy)propyl]-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[3-(3-acetamidophenoxy)propyl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-[3-(3-acetamidophenoxy)propyl]-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)OCCCNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)OCCCNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C29H30N4O4S/c1-21(34)31-24-9-5-10-25(19-24)37-18-6-15-30-28(36)26-20-38-29(32-26)23-13-16-33(17-14-23)27(35)12-11-22-7-3-2-4-8-22/h2-5,7-10,19-20,23H,6,13-18H2,1H3,(H,30,36)(H,31,34)