N-(5-aminocarbonyl-2-chloranyl-phenyl)-2-[1-(4-but-3-enoxyphenyl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(5-aminocarbonyl-2-chloranyl-phenyl)-2-[1-(4-but-3-enoxyphenyl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-(4-but-3-enoxybenzoyl)-4-piperidyl]-N-(5-carbamoyl-2-chloro-phenyl)thiazole-4-carboxamide CAS Name: 2-[1-[(4-but-3-enoxyphenyl)-oxomethyl]-4-piperidinyl]-N-(5-carbamoyl-2-chlorophenyl)-4-thiazolecarboxamide IUPAC Name: 2-[1-(4-but-3-enoxybenzoyl)piperidin-4-yl]-N-(5-carbamoyl-2-chlorophenyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-(4-but-3-enoxybenzoyl)-4-piperidyl]-N-(5-carbamoyl-2-chloro-phenyl)thiazole-4-carboxamide Formula: C27H27ClN4O4S MolecularWeight: 539.04568

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

Isomeric SMILES

C=CCCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

InChI

InChI=1S/C27H27ClN4O4S/c1-2-3-14-36-20-7-4-18(5-8-20)27(35)32-12-10-17(11-13-32)26-31-23(16-37-26)25(34)30-22-15-19(24(29)33)6-9-21(22)28/h2,4-9,15-17H,1,3,10-14H2,(H2,29,33)(H,30,34)